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⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Os",
"Rh",
"Tc"
] | 4 |
A2BC
|
OsRhTc2
|
Tc2 Os Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
9.07515972,
-0.00820366,
-0.00480847
],
[
8.66763096,
2.68900816,
-0.00480847
],
[
8.66763096,
1.30961496,
2.34855203
]
] |
agm004274335
|
[
[
6.60260541,
0.997604865,
0.5847337725
],
[
19.80781623,
2.992814595,
1.7542013175
],
[
0.0015267864750084,
0.0002306861489826,
0.0001352138375529
],
[
13.203684033524993,
1.9949790438510175,
1.169332331162447
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Os",
"Rh",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
9.47769,
-0.09669637,
-0.05667738
],
[
-0.09669637,
10.103061,
-0.00856353
],
[
-0.05667738,
-0.00856353,
10.112651
]
] | -39.256405 | -39.256405 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01193361,
0.00180308,
0.00105685
],
[
-0.01193361,
-0.00180308,
-0.00105685
]
] | -0.000003 |
[
12.647,
13.356,
11.44,
11.44
] | 3.96437 |
pbe
| true |
208003fd7ea206014cb27c5e27622a1c_166_Tc2Os1Rh1
| 166 |
[
"Os",
"Rh",
"Tc"
] | 4 |
A2BC
|
OsRh2Tc
|
Tc Os Rh2
| 3 |
[
1,
1,
1
] | 3 |
[
[
9.01133355,
-0.01551541,
-0.00909437
],
[
8.60388982,
2.67907689,
-0.00909437
],
[
8.60388982,
1.30097638,
2.34200686
]
] |
agm004274336
|
[
[
19.6643348925,
2.973403395,
1.74286359
],
[
26.20881222480991,
3.962980272365563,
2.3229051383370143
],
[
13.119857560190088,
1.9838265176344372,
1.1628220416629858
],
[
6.5547782974999995,
0.991134465,
0.5809545300000001
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Os",
"Rh",
"Rh",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
12.406076,
-0.07228496,
-0.04236991
],
[
-0.07228496,
12.873197,
-0.00640667
],
[
-0.04236991,
-0.00640667,
12.880371
]
] | -36.158143 | -36.158142 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
-0.01097991,
-0.00166025,
-0.00097316
],
[
0.01097991,
0.00166025,
0.00097316
],
[
0,
0,
0
]
] | 0 |
[
12.557,
13.358,
13.358,
11.415
] | 3.755332 |
pbe
| true |
572dad2766d3ce531215ccbf2f4d05f5_166_Tc1Os1Rh2
| 166 |
[
"Os",
"Rh",
"Tc"
] | 4 |
A2BC
|
OsRh2Tc
|
Tc Os Rh2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.67585661,
0.00488959,
0
],
[
1.45139885,
4.44489598,
0
],
[
-3.06362627,
-2.22489173,
2.74366721
]
] |
agm004274337
|
[
[
2.337929035,
0.002445322500000069,
1.371833605
],
[
0,
0,
0
],
[
0.725700155,
2.2224485175,
1.371833605
],
[
3.0636277300000003,
2.224892785,
0
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Os",
"Rh",
"Rh",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
12.6406145,
0.01185576,
0.00000671
],
[
0.01185576,
12.632899,
0.00000487
],
[
0.00000671,
0.00000487,
12.624312
]
] | -36.259684 | -36.259686 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 |
[
12.539,
13.381,
13.38,
11.37
] | 3.954664 |
pbe
| true |
372fe96cd5224a6618110667bb233301_119_Tc1Os1Rh2
| 119 |
[
"Os",
"Rh",
"Tc"
] | 4 |
A2BC
|
OsRh2Tc
|
Tc Os Rh2
| 3 |
[
1,
1,
1
] | 3 |
[
[
9.00628735,
-0.00878101,
-0.00514827
],
[
8.5945975,
2.69187348,
-0.00514827
],
[
8.5945975,
1.31016707,
2.35152537
]
] |
agm004274338
|
[
[
19.661330480122817,
2.9971883876703354,
1.7572371121550006
],
[
0.025745443963226998,
0.0039246553411028,
0.0023010065187006
],
[
6.510853345920269,
0.9925195073621934,
0.5819094055113093
],
[
13.095294254993686,
1.9962567596263685,
1.1703957208149898
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Os",
"Rh",
"Rh",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
12.608943,
-0.02907914,
-0.01704896
],
[
-0.02907914,
12.795267,
-0.00259896
],
[
-0.01704896,
-0.00259896,
12.798177
]
] | -36.214988 | -36.21499 |
[
0,
0.001,
0.001,
0
] |
[
[
-0.01277424,
-0.00194732,
-0.0011417
],
[
-0.00683516,
-0.00104196,
-0.00061089
],
[
0.01144015,
0.00174395,
0.00102247
],
[
0.00816925,
0.00124533,
0.00073013
]
] | 0.001073 |
[
12.616,
13.319,
13.331,
11.466
] | 5.852279 |
pbe
| true |
8ed3d4554fd77bd3ad0d5d139f30f637_160_Tc1Os1Rh2
| 160 |
[
"Ag",
"Re",
"Ta"
] | 3 |
ABC
|
AgReTa
|
Ta Re Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.80159071,
0,
0
],
[
-1.40079535,
2.42624872,
0
],
[
0,
0,
7.44603445
]
] |
agm004274339
|
[
[
1.4007953706746203,
0.8087495652458375,
2.4912586886966737
],
[
0,
0,
0.0260311130561665
],
[
-1.0674620260299289e-8,
1.6174991547541624,
4.928744573786815
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
8.611668,
0,
0
],
[
0,
8.611668,
0
],
[
0,
0,
8.225521
]
] | -25.998622 | -25.998621 |
[
0,
0,
0
] |
[
[
0,
0,
0.0026684
],
[
0,
0,
0.00324974
],
[
0,
0,
-0.00591814
]
] | 0.000001 |
[
11.157,
9.576,
8.965
] | 2.995284 |
pbe
| true |
67b922efd59fa48bb39a55a54b319400_156_Ta1Re1Ag1
| 156 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
AsBe2Cu
|
Be2 Cu As
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81644033,
0.25344835,
0
],
[
-1.04891055,
3.67821145,
0
],
[
0,
0,
3.34653375
]
] |
agm004274340
|
[
[
0,
0,
0
],
[
1.38376489,
1.9658299000000001,
0
],
[
-0.524455275,
1.839105725,
1.673266875
],
[
1.908220165,
0.126724175,
1.673266875
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"Be",
"As",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-3.5694795,
0.50155073,
0
],
[
0.50155073,
-3.2100031,
0
],
[
0,
0,
-4.3126583
]
] | -15.21222 | -15.21222 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
2.731,
2.731,
2.821,
15.369
] | 0.907583 |
pbe
| true |
04b48bcd85305f6f18a1aa19a091c1a5_65_Be2Cu1As1
| 65 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
AsBe2Cu
|
Be2 Cu As
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.20665649,
-0.03069977,
-0.10961261
],
[
2.43667367,
3.42921605,
-0.10961261
],
[
0.06945052,
0.03552867,
3.63955303
]
] |
agm004274341
|
[
[
0.4936195108599444,
0.2525200276243185,
2.6981338491698375
],
[
2.9322213491400557,
1.5000311173756815,
2.6515830858301626
],
[
1.67819517,
0.8585112375,
0.8550819525
],
[
5.03458551,
2.5755337125,
2.5652458575
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"Be",
"As",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-3.2243679,
0.02103564,
0.38208538
],
[
0.02103564,
-3.2547266,
0.19546272
],
[
0.38208547,
0.19546276,
-3.4805417
]
] | -15.491978 | -15.491978 |
[
0,
0,
0,
0
] |
[
[
0.00515093,
0.00263505,
0.01561197
],
[
-0.00515093,
-0.00263505,
-0.01561197
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 |
[
2.85,
2.85,
2.812,
15.351
] | 1.1885 |
pbe
| true |
04b48bcd85305f6f18a1aa19a091c1a5_12_Be2Cu1As1
| 12 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
AgRe2Ta
|
Ta Re2 Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.977323,
-0.0083829,
0.0662768
],
[
4.08056907,
2.85004748,
0.0662768
],
[
1.09962598,
0.34497741,
4.6087981
]
] |
agm004274342
|
[
[
1.1872025326628683,
0.3724521454791139,
4.532631380249991
],
[
7.584510393156774,
2.37943158678264,
3.6140008618615536
],
[
2.565153941795588,
0.8047465159894002,
1.1897566905467838
],
[
4.999081052124755,
1.568324221827174,
2.3846247563041505
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Re",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
10.297149,
-0.03869594,
-0.18660961
],
[
-0.03869594,
10.408354,
-0.05854364
],
[
-0.18660903,
-0.05854345,
10.468392
]
] | -38.194699 | -38.1947 |
[
0,
0,
0,
0
] |
[
[
-0.01768019,
-0.00554667,
0.01361959
],
[
0.01468585,
0.00460728,
-0.00969296
],
[
0.00155716,
0.00048852,
0.00111601
],
[
0.00143717,
0.00045087,
-0.00504264
]
] | 0 |
[
11.282,
11.226,
9.65,
8.851
] | 1.878983 |
pbe
| true |
917f9418a038db6a7615063b891d70f7_8_Ta1Re2Ag1
| 8 |
[
"Mo",
"Ru",
"W"
] | 4 |
A2BC
|
MoRu2W
|
Mo Ru2 W
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.41234792,
0,
0
],
[
2.20617396,
3.82120539,
0
],
[
2.20617396,
1.27373513,
3.60266699
]
] |
agm004274343
|
[
[
4.41234792,
2.54747026,
1.801333495
],
[
0,
0,
0
],
[
6.61852188,
3.82120539,
2.7020002425
],
[
2.20617396,
1.27373513,
0.9006667475
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Mo",
"Ru",
"Ru",
"W"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
11.27299,
0,
0
],
[
0,
11.27299,
0
],
[
0,
0,
11.27299
]
] | -41.20517 | -41.20517 |
[
0.004,
0.622,
0.701,
-0.018
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.326296 |
[
10.728,
12.734,
12.703,
10.079
] | 4.454767 |
pbe
| true |
42a8d99740c81a3bd60f7da9e3063e06_216_Mo1Ru2W1
| 216 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
AsBe2Cu
|
Be2 Cu As
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.32220267,
0.09770595,
-0.00943079
],
[
1.48108518,
4.06169535,
0.00943083
],
[
-2.8957567,
-2.08791427,
2.73127881
]
] |
agm004274345
|
[
[
0.00014508219625000002,
0.00010398503250000001,
1.0000000000041738e-12
],
[
0.005742142803750294,
-0.008317605032500008,
2.731278829999
],
[
0.7434862025,
2.026740865,
1.3703548300000001
],
[
2.1640449475000008,
0.04474616499999984,
1.3609240200000001
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"Be",
"As",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-3.320124,
0.36987847,
0.06792418
],
[
0.36987847,
-3.5710828,
-0.09476984
],
[
0.06792387,
-0.09476942,
-3.7805836
]
] | -15.104061 | -15.10406 |
[
0,
0,
0,
0
] |
[
[
-0.00074402,
-0.00053327,
0
],
[
0.00074402,
0.00053327,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
2.723,
2.723,
2.796,
15.375
] | 0.72768 |
pbe
| true |
04b48bcd85305f6f18a1aa19a091c1a5_69_Be2Cu1As1
| 12 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
AsBe2Cu
|
Be2 Cu As
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.76488189,
0,
0
],
[
0,
2.76488189,
0
],
[
0,
0,
6.48416529
]
] |
agm004274346
|
[
[
0,
0,
0.4176766642138623
],
[
0,
0,
2.8244059807861377
],
[
1.382440945,
1.382440945,
4.8631239675
],
[
1.382440945,
1.382440945,
1.6210413225
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"Be",
"As",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-10.507682,
0,
0
],
[
0,
-10.507682,
0
],
[
0,
0,
8.1450815
]
] | -15.041088 | -15.041088 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00563092
],
[
0,
0,
-0.00563092
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000117 |
[
2.749,
2.749,
2.681,
15.409
] | 1.486394 |
pbe
| true |
cb3eecb42097b4dcb1cd1ffe4cf1e5da_123_Be2Cu1As1
| 123 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
AsBe2Cu
|
Be2 Cu As
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.71574721,
0,
0
],
[
0,
3.7126108,
0
],
[
0,
0,
3.42476313
]
] |
agm004274347
|
[
[
0,
0,
0
],
[
1.857873605,
1.8563054,
0
],
[
0,
1.8563054,
1.712381565
],
[
1.857873605,
0,
1.712381565
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"Be",
"As",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-3.2138026,
0,
0
],
[
0,
-2.870149,
0
],
[
0,
0,
-3.53786
]
] | -15.139113 | -15.139113 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
2.714,
2.714,
2.821,
15.365
] | 1.060812 |
pbe
| true |
6d6af5895781f194f3ce254093b27262_123_Be2Cu1As1
| 47 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
AsBe2Cu
|
Be2 Cu As
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.07216674,
-0.04488617,
0.049168
],
[
2.59632721,
3.13745785,
0.049168
],
[
0.72091191,
0.33432913,
3.89043744
]
] |
agm004274348
|
[
[
0.776647177778926,
0.36017684163294245,
3.5584954965108637
],
[
5.481829826830696,
2.5422459440033354,
3.298131781710134
],
[
1.854773004028005,
0.860167005171221,
0.8152003137947232
],
[
3.691770758047313,
1.7120905851182182,
2.2017700089676384
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"Be",
"As",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-3.5859382,
0.22987846,
-0.40227497
],
[
0.22987846,
-3.9750156,
-0.18655849
],
[
-0.40227684,
-0.18655936,
-3.8060427
]
] | -15.380217 | -15.380217 |
[
0,
0,
0,
0
] |
[
[
0.00038243,
0.00017735,
0.00099274
],
[
0.00114109,
0.00052919,
0.00276967
],
[
0.00024073,
0.00011164,
-0.00021705
],
[
-0.00176425,
-0.00081819,
-0.00354536
]
] | 0 |
[
2.793,
2.823,
2.79,
15.359
] | 0.936387 |
pbe
| true |
04b48bcd85305f6f18a1aa19a091c1a5_8_Be2Cu1As1
| 8 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
As2BeCu
|
Be Cu As2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.76161697,
0.044964,
-0.00698258
],
[
2.34349569,
2.94275584,
-0.00698258
],
[
1.46042058,
0.71470058,
5.52559607
]
] |
agm004274349
|
[
[
5.67414993,
2.776815315,
4.1337231825
],
[
7.5154220131012925,
3.677896989303247,
5.3846252193742545
],
[
3.832877846898708,
1.875733640696753,
2.8828211456257447
],
[
1.89138331,
0.9256051049999999,
1.3779077275
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"As",
"As",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-2.414536,
-0.06178799,
-0.11174877
],
[
-0.06178799,
-2.318516,
-0.05468761
],
[
-0.11174769,
-0.05468708,
-1.9397256
]
] | -16.317003 | -16.317003 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0.00033899,
0.0001659,
0.00344214
],
[
-0.00033899,
-0.0001659,
-0.00344214
],
[
0,
0,
0
]
] | -0.000002 |
[
2.748,
2.741,
2.741,
15.33
] | 1.348047 |
pbe
| true |
10c976ffa94e373335bd9f91020d3e87_12_Be1Cu1As2
| 12 |
[
"Ag",
"Mn",
"Zr"
] | 4 |
A2BC
|
AgMn2Zr
|
Zr Mn2 Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.9215023,
-0.03970796,
-0.03247795
],
[
1.5206088,
4.68086649,
0.03247798
],
[
-3.20265082,
-2.34612293,
2.90904661
]
] |
agm004274350
|
[
[
0.7695067649999998,
2.3276614125,
1.4707623024999998
],
[
0.000270890771755,
0.0001951607161865,
1.2615000000206749e-12
],
[
0.018133839228244852,
-0.025738825716186575,
2.9090466249987386
],
[
2.4699535150000003,
-0.03262581250000007,
1.4382843374999998
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Mn",
"Mn",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
4.561398,
0.13742743,
0.06175269
],
[
0.13742743,
4.4696517,
-0.08571088
],
[
0.06175269,
-0.08571088,
4.3660045
]
] | -28.934314 | -28.934313 |
[
-0.034,
3.148,
3.148,
-0.604
] |
[
[
0,
0,
0
],
[
-0.00170077,
-0.00122531,
0
],
[
0.00170077,
0.00122531,
0
],
[
0,
0,
0
]
] | 5.660267 |
[
9.607,
11.531,
11.531,
10.067
] | 3.526727 |
pbe
| true |
555f33c004bf4db19fde26ede6da6598_139_Zr1Mn2Ag1
| 71 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
AgReTa2
|
Ta2 Re Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
9.90139563,
-0.02263897,
-0.01325056
],
[
9.49438123,
2.80978168,
-0.01325056
],
[
9.49438123,
1.36432769,
2.45635067
]
] |
agm004274351
|
[
[
21.6676185675,
3.1136028000000002,
1.8223871624999999
],
[
7.2225395225,
1.0378676,
0.6074623875
],
[
0.09263195839187151,
0.01331106711704,
0.0077909481046425
],
[
14.352447086608128,
2.06242413288296,
1.2071338268953575
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ta",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
7.784593,
0.01637395,
0.00958365
],
[
0.01637395,
7.6729994,
0.00137716
],
[
0.00958365,
0.00137716,
7.6714525
]
] | -37.773437 | -37.773438 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00553641,
0.00079557,
0.00046565
],
[
-0.00553641,
-0.00079557,
-0.00046565
]
] | -0.000012 |
[
11.256,
9.553,
8.915,
8.915
] | 5.058805 |
pbe
| true |
8b90fe9958374bdade5feb473cc0105f_166_Ta2Re1Ag1
| 166 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
AgReTa2
|
Ta2 Re Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.58415667,
0,
0
],
[
2.29207833,
3.96999613,
0
],
[
2.29207833,
1.32333204,
3.74294824
]
] |
agm004274352
|
[
[
6.8762349975,
3.9699961275,
2.80721118
],
[
4.584156665,
2.6466640850000003,
1.87147412
],
[
0,
0,
0
],
[
2.2920783325,
1.3233320425000001,
0.93573706
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ta",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
7.7382007,
0,
0
],
[
0,
7.7382007,
0
],
[
0,
0,
7.7382007
]
] | -37.485087 | -37.48509 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000012 |
[
11.174,
9.651,
8.975,
8.788
] | 1.928883 |
pbe
| true |
a4addedc7c38b1219af64c82ae6c1ac9_216_Ta2Re1Ag1
| 216 |
[
"Ag",
"Mn",
"Zr"
] | 4 |
A2BC
|
AgMn2Zr
|
Zr Mn2 Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.28041373,
0.54769049,
0
],
[
-0.54817159,
3.28033337,
0
],
[
0,
0,
6.07794993
]
] |
agm004274353
|
[
[
1.36612107,
1.91401193,
4.5584624475
],
[
0,
0,
0.0202027408903242
],
[
0,
0,
3.0187722241096755
],
[
1.36612107,
1.91401193,
1.5194874825
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Mn",
"Mn",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
4.7429805,
0.0975609,
0
],
[
0.0975609,
4.810035,
0
],
[
0,
0,
4.6502323
]
] | -28.953259 | -28.953259 |
[
0.023,
3.017,
3.017,
-0.65
] |
[
[
0,
0,
0
],
[
0,
0,
0.00621672
],
[
0,
0,
-0.00621672
],
[
0,
0,
0
]
] | 5.333724 |
[
9.559,
11.561,
11.561,
10.141
] | 3.575423 |
pbe
| true |
e1a706d15cc2a9486e21ba8587d504da_123_Zr1Mn2Ag1
| 65 |
[
"Ag",
"Fe",
"Tc"
] | 4 |
A2BC
|
AgFeTc2
|
Fe Tc2 Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.69106252,
0,
0
],
[
0,
3.9213023,
0
],
[
0,
0,
5.53601668
]
] |
agm004274354
|
[
[
1.34553126,
1.96065115,
1.38400417
],
[
1.34553126,
1.96065115,
4.1520125100000005
],
[
0,
0,
5.341633847925168
],
[
0,
0,
2.9623911720748324
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Fe",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
5.741596,
0,
0
],
[
0,
5.360634,
0
],
[
0,
0,
4.6996355
]
] | -30.529388 | -30.529388 |
[
0.002,
2.004,
-0.094,
-0.094
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00136088
],
[
0,
0,
0.00136088
]
] | 1.792104 |
[
9.626,
12.758,
11.426,
11.426
] | 3.038009 |
pbe
| true |
663065aa4218a972f4c3b48846d133ad_47_Fe1Tc2Ag1
| 47 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
AgReTa2
|
Ta2 Re Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.60368124,
0.1839277,
0
],
[
-0.28531885,
4.59851101,
0
],
[
0,
0,
3.22823966
]
] |
agm004274355
|
[
[
-0.142659425,
2.299255505,
1.61411983
],
[
2.30184062,
0.09196385,
1.61411983
],
[
0,
0,
0
],
[
2.159181195,
2.391219355,
0
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ta",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
7.4864736,
0.45440844,
0
],
[
0.45440844,
7.5794015,
0
],
[
0,
0,
7.5123324
]
] | -38.410385 | -38.410385 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
11.277,
9.707,
8.755,
8.755
] | 2.025467 |
pbe
| true |
1f677e36fdb9681536fed57af66f903a_123_Ta2Re1Ag1
| 65 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
AgReTa2
|
Ta2 Re Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.80852471,
-0.00113597,
0
],
[
-0.94613469,
2.64436031,
0
],
[
0,
0,
9.25282908
]
] |
agm004274356
|
[
[
0.9311950099999999,
1.32161217,
6.93962181
],
[
0.9311950099999999,
1.32161217,
2.31320727
],
[
0,
0,
9.131615816184219
],
[
0,
0,
4.74762780381578
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ta",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
8.180636,
0.0159317,
0
],
[
0.0159317,
8.192022,
0
],
[
0,
0,
8.578429
]
] | -38.693933 | -38.69393 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00036073
],
[
0,
0,
0.00036073
]
] | 0.000013 |
[
11.288,
9.562,
8.914,
8.914
] | 2.633164 |
pbe
| true |
8b90fe9958374bdade5feb473cc0105f_65_Ta2Re1Ag1
| 65 |
[
"Cd",
"Mo",
"Zr"
] | 4 |
A2BC
|
CdMoZr2
|
Zr2 Cd Mo
| 3 |
[
1,
1,
1
] | 3 |
[
[
10.69849049,
-0.02608608,
-0.01525402
],
[
10.28744086,
2.93716526,
-0.01525402
],
[
10.28744086,
1.42703006,
2.5672471
]
] |
agm004274357
|
[
[
7.8183430525,
1.0845273100000001,
0.634184765
],
[
23.4550291575,
3.2535819299999997,
1.9025542949999998
],
[
0.095593316834307,
0.013260298513908,
0.007754050284701999
],
[
15.541092788165692,
2.155794321486092,
1.260615479715298
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}]
|
[
"Cd",
"Mo",
"Zr",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
4.194803,
0.07399358,
0.04326825
],
[
0.07399358,
3.6716487,
0.00600199
],
[
0.04326825,
0.00600199,
3.6648943
]
] | -27.877331 | -27.87733 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00227349,
-0.00031537,
-0.00018441
],
[
0.00227349,
0.00031537,
0.00018441
]
] | 0.00027 |
[
10.372,
10.42,
10.133,
10.133
] | 7.002403 |
pbe
| true |
4fb528f519dd5819f780d4110344aa67_166_Zr2Cd1Mo1
| 166 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
AgReTa2
|
Ta2 Re Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.77317556,
-0.00157209,
0
],
[
0.88175105,
4.69102574,
0
],
[
-2.8274604,
-2.34472442,
3.04810474
]
] |
agm004274359
|
[
[
2.3865892325000004,
-0.0007848425000001047,
1.52405237
],
[
0.4408769775000001,
2.3455140724999994,
1.52405237
],
[
0,
0,
0
],
[
2.827463305,
2.344726825,
0
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ta",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
7.03712,
-0.579729,
0.00000736
],
[
-0.579729,
7.255453,
0.0000061
],
[
0.00000736,
0.0000061,
7.7362275
]
] | -38.366535 | -38.366535 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000003 |
[
11.29,
9.676,
8.788,
8.788
] | 3.053692 |
pbe
| true |
a4addedc7c38b1219af64c82ae6c1ac9_139_Ta2Re1Ag1
| 139 |
[
"Ba",
"Ir",
"Pt"
] | 3 |
ABC
|
BaIrPt
|
Ba Ir Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.37259207,
0,
0
],
[
-2.18629603,
3.78677581,
0
],
[
0,
0,
4.81845291
]
] |
agm004274360
|
[
[
2.186296058529627,
1.2622585907107473,
2.409064892273928
],
[
0,
0,
0.00041058037246110006
],
[
-1.8529627192253697e-8,
2.524517219289253,
2.4090217189358545
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Ir",
"Ba",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
2.6469119,
0,
0
],
[
0,
2.6469119,
0
],
[
0,
0,
2.4956722
]
] | -17.669974 | -17.669973 |
[
0.643,
-0.011,
0.3
] |
[
[
0,
0,
0.00086317
],
[
0,
0,
-0.00235718
],
[
0,
0,
0.00149401
]
] | 0.941305 |
[
8.148,
7.93,
8.767
] | 3.553634 |
pbe
| true |
a214376ed5a0688e3aec9446e6dc39f2_187_Ba1Ir1Pt1
| 156 |
[
"Hg",
"Se"
] | 3 |
A2B
|
HgSe2
|
Hg Se2
| 2 |
[
1,
1,
1
] | 3 |
[
[
5.88937441,
0,
0
],
[
-2.9446872,
5.10034785,
0
],
[
0,
0,
2.58948078
]
] |
agm004274362
|
[
[
0,
0,
0
],
[
-2.6113538844836716e-8,
3.4002319170011597,
2.5877179650642077
],
[
2.944687236113539,
1.7001159329988405,
0.0017628149357928002
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}]
|
[
"Hg",
"Se",
"Se"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.6666666666666666
] |
[
[
-3.1356971,
0,
0
],
[
0,
-3.1356971,
0
],
[
0,
0,
25.71896
]
] | -6.519278 | -6.519278 |
[
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0.00314072
],
[
0,
0,
-0.00314072
]
] | 0 |
[
10.502,
3.652,
3.652
] | 1.181783 |
pbe
| true |
7c578824d4bc3225b539cd6ca8a82fa7_191_Hg1Se2
| 164 |
[
"Cd",
"Mo",
"Zr"
] | 4 |
A2BC
|
CdMo2Zr
|
Zr Cd Mo2
| 3 |
[
1,
1,
1
] | 3 |
[
[
10.34123588,
-0.02542359,
-0.01486762
],
[
9.94180446,
2.84645918,
-0.01486762
],
[
9.94180446,
1.38274065,
2.48808747
]
] |
agm004274363
|
[
[
22.6686336,
3.15283218,
1.8437641725
],
[
0.039173212351488,
0.005448346233614399,
0.0031861719912137996
],
[
15.073248885400064,
2.096439731728623,
1.2259899184252638
],
[
7.5562112,
1.05094406,
0.6145880575
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}]
|
[
"Cd",
"Mo",
"Mo",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
4.7375813,
0.00444151,
0.00259738
],
[
0.00444151,
4.706265,
0.00036125
],
[
0.00259738,
0.00036125,
4.705858
]
] | -29.187344 | -29.187344 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0.00262396,
0.00036495,
0.00021342
],
[
-0.00262396,
-0.00036495,
-0.00021342
],
[
0,
0,
0
]
] | 0.000249 |
[
10.426,
10.467,
10.467,
10.262
] | 5.440721 |
pbe
| true |
21dce9f070ed40dd749b6ccfbb75bf69_166_Zr1Cd1Mo2
| 166 |
[
"Cd",
"Mo",
"Zr"
] | 4 |
A2BC
|
CdMo2Zr
|
Zr Cd Mo2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25745169,
0,
0
],
[
0,
3.25745169,
0
],
[
0,
0,
7.08301543
]
] |
agm004274364
|
[
[
1.628725845,
1.628725845,
5.455590356214691
],
[
0,
0,
0.23245967913195328
],
[
1.628725845,
1.628725845,
1.6084656122330567
],
[
0,
0,
3.3280075682504533
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}]
|
[
"Cd",
"Mo",
"Mo",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
5.3462186,
0,
0
],
[
0,
5.3462186,
0
],
[
0,
0,
4.9194446
]
] | -30.904996 | -30.904995 |
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00807301
],
[
0,
0,
-0.00099292
],
[
0,
0,
0.01051761
],
[
0,
0,
-0.00145168
]
] | -0.000001 |
[
10.412,
10.59,
10.742,
10.045
] | 1.312109 |
pbe
| true |
8797c03c568c5b96b775c04d77404481_99_Zr1Cd1Mo2
| 99 |
[
"Cd",
"Mo",
"Zr"
] | 3 |
ABC
|
CdMoZr
|
Zr Cd Mo
| 3 |
[
1,
1,
1
] | 3 |
[
[
7.40686655,
0.00689256,
1e-8
],
[
6.3008223,
3.89375885,
1e-8
],
[
-6.85384585,
-1.95032611,
2.02058034
]
] |
agm004274365
|
[
[
13.624799140908493,
3.8770643659563007,
1.9879061000000002e-8
],
[
4.58640174110432,
1.305103625711859,
6.6917214e-9
],
[
2.3503309679871895,
0.6688087183318412,
2.0205803534292177
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}]
|
[
"Cd",
"Mo",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
4.887929,
0.01610041,
-0.0000034
],
[
0.01610041,
4.8359303,
-9.7e-7
],
[
-0.0000034,
-9.7e-7,
4.831324
]
] | -19.61564 | -19.61564 |
[
0,
0,
0
] |
[
[
0.00001646,
0.00000469,
0
],
[
0.00192122,
0.0005467,
0
],
[
-0.00193768,
-0.00055139,
0
]
] | -0.000005 |
[
10.425,
10.45,
10.153
] | 2.425821 |
pbe
| true |
209dc92059c340959cc2c9870ccfdd57_107_Zr1Cd1Mo1
| 107 |
[
"Co",
"Sc",
"W"
] | 4 |
A2BC
|
CoScW2
|
Sc Co W2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.73405935,
0,
0
],
[
0,
4.4979374,
0
],
[
0,
0,
5.21610646
]
] |
agm004274366
|
[
[
1.367029675,
2.2489687,
1.304026615
],
[
1.367029675,
2.2489687,
3.912079845
],
[
0,
0,
0.0107265056464732
],
[
0,
0,
2.5973267243535267
]
] |
[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Co",
"Sc",
"W",
"W"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
4.778407,
0,
0
],
[
0,
4.8183146,
0
],
[
0,
0,
5.312741
]
] | -37.756098 | -37.7561 |
[
0.447,
-0.037,
0.014,
0.014
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00470368
],
[
0,
0,
0.00470368
]
] | 0.405514 |
[
8.068,
9.758,
10.133,
10.133
] | 3.668936 |
pbe
| true |
cd7fe98076a744852abd0761b5ed76d6_47_Sc1Co1W2
| 47 |
[
"Ag",
"Fe",
"Tc"
] | 4 |
A2BC
|
AgFeTc2
|
Fe Tc2 Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.38057501,
0,
0
],
[
2.1902875,
3.79368924,
0
],
[
2.1902875,
1.26456308,
3.57672452
]
] |
agm004274367
|
[
[
4.380575005000001,
2.52912616,
1.78836226
],
[
2.1902875025000004,
1.26456308,
0.89418113
],
[
0,
0,
0
],
[
6.5708625075,
3.7936892400000004,
2.68254339
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Fe",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
5.943006,
0,
0
],
[
0,
5.943006,
0
],
[
0,
0,
5.943006
]
] | -29.839711 | -29.839712 |
[
0.016,
2.819,
0.253,
-0.126
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.945573 |
[
9.673,
12.587,
11.33,
11.347
] | 5.953908 |
pbe
| true |
68258347fcefad54e2cabfd7df582a28_216_Fe1Tc2Ag1
| 216 |
[
"Ag",
"Mn",
"Zr"
] | 4 |
A2BC
|
AgMn2Zr
|
Zr Mn2 Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.60050691,
0,
0
],
[
2.30025346,
3.98415586,
0
],
[
2.30025346,
1.32805195,
3.75629816
]
] |
agm004274368
|
[
[
4.600506915,
2.656103905,
1.87814908
],
[
0,
0,
0
],
[
2.3002534575,
1.3280519525,
0.93907454
],
[
6.900760372500001,
3.9841558575000002,
2.81722362
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Mn",
"Mn",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
4.483332,
0,
0
],
[
0,
4.483332,
0
],
[
0,
0,
4.483332
]
] | -28.469616 | -28.469616 |
[
-0.005,
3.004,
3.507,
-0.435
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.204201 |
[
9.613,
11.584,
11.452,
9.996
] | 6.246929 |
pbe
| true |
a3036eaf94af3e8ae658b17cc495fd3d_216_Zr1Mn2Ag1
| 216 |
[
"Rh",
"Tl",
"Zn"
] | 4 |
A2BC
|
RhTl2Zn
|
Tl2 Zn Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.34628241,
0,
0
],
[
0,
5.45721788,
0
],
[
0,
0,
4.5225605
]
] |
agm004274369
|
[
[
0,
2.72860894,
2.26128025
],
[
0,
0,
0
],
[
1.673141205,
2.72860894,
0
],
[
1.673141205,
0,
2.26128025
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Rh",
"Tl",
"Tl",
"Zn"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
7.959909,
0,
0
],
[
0,
8.026233,
0
],
[
0,
0,
8.042463
]
] | -12.249123 | -12.249123 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
13.289,
11.312,
11.298,
10.639
] | 1.258194 |
pbe
| true |
0149bef456b1c8dc41bc863ced4691da_47_Tl2Zn1Rh1
| 47 |
[
"Hg",
"Se"
] | 4 |
AB
|
HgSe
|
Hg2 Se2
| 2 |
[
1,
1,
1
] | 3 |
[
[
3.58531127,
0,
0
],
[
0,
3.58531127,
0
],
[
0,
0,
10.71704771
]
] |
agm004274370
|
[
[
0.8963278175,
0.8963278175,
1.2306469478365136
],
[
2.6889834525,
2.6889834525,
9.486400762163486
],
[
0.8963278175,
0.8963278175,
4.981456855928516
],
[
2.6889834525,
2.6889834525,
5.735590854071483
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}]
|
[
"Hg",
"Hg",
"Se",
"Se"
] |
2023-11-16 00:00:00
|
[
0.5,
0.5
] |
[
[
2.2018285,
0,
0
],
[
0,
2.2018285,
0
],
[
0,
0,
2.0416074
]
] | -7.140933 | -7.140933 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00357365
],
[
0,
0,
-0.00357365
],
[
0,
0,
0.00210798
],
[
0,
0,
-0.00210798
]
] | -0.000001 |
[
10.408,
10.408,
3.693,
3.693
] | 1.088232 |
pbe
| true |
25ba34806a3a9706857ee7151f68c5c3_129_Hg2Se2
| 129 |
[
"Cl",
"Co",
"Mn"
] | 4 |
A2BC
|
ClCoMn2
|
Mn2 Co Cl
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.94040076,
0,
0
],
[
0,
4.74480273,
0
],
[
0,
0,
4.12873823
]
] |
agm004274371
|
[
[
0,
0,
0
],
[
1.47020038,
2.372401365,
0
],
[
0,
2.372401365,
2.064369115
],
[
1.47020038,
0,
2.064369115
]
] |
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cl"]}]
|
[
"Mn",
"Mn",
"Co",
"Cl"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
6.1862726,
0,
0
],
[
0,
6.9438076,
0
],
[
0,
0,
6.058844
]
] | -24.910413 | -24.910414 |
[
3.466,
3.35,
1.721,
0.147
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 8.936942 |
[
11.5,
11.576,
7.999,
5.034
] | 4.941308 |
pbe
| true |
5a5e8e1e103beb9bcb6323a1c88b8905_47_Mn2Co1Cl1
| 47 |
[
"Mg",
"Ru",
"Zn"
] | 4 |
A2BC
|
Mg2RuZn
|
Mg2 Zn Ru
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.28964064,
0,
0
],
[
0,
3.38041454,
0.05740983
],
[
0,
3.28046627,
5.94148061
]
] |
agm004274372
|
[
[
0,
3.3784363132074064,
0.1673708236419699
],
[
0,
3.3324186317925935,
2.8894842263580305
],
[
1.64482032,
1.6652202025,
1.49972261
],
[
1.64482032,
4.9956606075,
4.49916783
]
] |
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Mg",
"Mg",
"Ru",
"Zn"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
3.4936385,
0,
0
],
[
0,
3.1666353,
0.01418492
],
[
0,
0.01418582,
3.0021925
]
] | -13.828335 | -13.828335 |
[
0,
0,
0,
0
] |
[
[
0,
0.00035476,
0.00376851
],
[
0,
-0.00035476,
-0.00376851
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000002 |
[
6.346,
6.346,
12.671,
10.756
] | 2.713167 |
pbe
| true |
2c704c73c2ca6ae14034ce4f9c31c280_47_Mg2Zn1Ru1
| 10 |
[
"Os",
"Rh",
"Tc"
] | 4 |
A2BC
|
OsRh2Tc
|
Tc Os Rh2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.91840891,
0,
0
],
[
0,
2.69573616,
0.00676651
],
[
0,
2.68889143,
5.40060065
]
] |
agm004274373
|
[
[
1.959204455,
4.038470692500001,
4.055525370000001
],
[
0,
2.688808324127273,
5.396497608390542
],
[
0,
2.692396900872727,
2.707786621609459
],
[
1.959204455,
1.3461568975,
1.3518417900000002
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Os",
"Rh",
"Rh",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
11.828387,
0,
0
],
[
0,
12.2487955,
-0.2029488
],
[
0,
-0.20294881,
12.313168
]
] | -36.216397 | -36.216396 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0.00067669,
0.00108278
],
[
0,
-0.00067669,
-0.00108278
],
[
0,
0,
0
]
] | 0.00001 |
[
12.543,
13.372,
13.372,
11.379
] | 4.201055 |
pbe
| true |
d1328f4f973b524becdced5dcb0223e0_47_Tc1Os1Rh2
| 10 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
AgReTa2
|
Ta2 Re Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.79151115,
-0.00453603,
0
],
[
-0.93080266,
2.63176015,
0
],
[
0,
0,
9.39666255
]
] |
agm004274374
|
[
[
0.930354245,
1.3136120599999999,
7.1489274010300905
],
[
0,
0,
4.738618526016871
],
[
0,
0,
9.297777147521577
],
[
0.930354245,
1.3136120599999999,
2.306333394398088
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ta",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
7.6396236,
0.05208829,
0
],
[
0.05208829,
7.6762786,
0
],
[
0,
0,
7.7906933
]
] | -38.296212 | -38.29621 |
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.0064296
],
[
0,
0,
-0.00151288
],
[
0,
0,
0.0147353
],
[
0,
0,
-0.00679283
]
] | 0 |
[
11.18,
9.556,
9.015,
8.914
] | 2.450324 |
pbe
| true |
d78bb4ff2bc653f2386906b9a9cae218_35_Ta2Re1Ag1
| 35 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
AgReTa2
|
Ta2 Re Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.26815911,
0,
0
],
[
0,
2.800492,
0.00824587
],
[
0,
1.89611584,
5.77296354
]
] |
agm004274375
|
[
[
2.134079555,
3.5224558800000003,
4.3359070575
],
[
2.134079555,
1.17415196,
1.4453023525
],
[
0,
4.491105804869034,
5.6799406929824805
],
[
0,
2.5538059551309664,
2.9918734220175196
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ta",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
7.606983,
0,
0
],
[
0,
7.1066923,
0.12453077
],
[
0,
0.12453008,
7.143288
]
] | -38.375936 | -38.375935 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.00499068,
-0.0011209
],
[
0,
-0.00499068,
0.0011209
]
] | -0.000017 |
[
11.305,
9.603,
8.876,
8.876
] | 2.900892 |
pbe
| true |
aac28a6590b7f743eb5a3ead533c8208_10_Ta2Re1Ag1
| 10 |
[
"Mo",
"Ru",
"W"
] | 4 |
A2BC
|
MoRu2W
|
Mo Ru2 W
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.92722065,
0,
0
],
[
0,
3.92828639,
0
],
[
0,
0,
3.87631656
]
] |
agm004274376
|
[
[
0,
1.964143195,
1.93815828
],
[
0,
0,
0
],
[
1.963610325,
1.964143195,
0
],
[
1.963610325,
0,
1.93815828
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Mo",
"Ru",
"Ru",
"W"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
11.298473,
0,
0
],
[
0,
10.843305,
0
],
[
0,
0,
10.883719
]
] | -42.147053 | -42.147053 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000052 |
[
10.717,
12.804,
12.804,
10.081
] | 4.333416 |
pbe
| true |
42a8d99740c81a3bd60f7da9e3063e06_123_Mo1Ru2W1
| 47 |
[
"Ba",
"Pb",
"Y"
] | 3 |
ABC
|
BaPbY
|
Ba Y Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.61330354,
0,
0
],
[
2.80665177,
4.86126347,
0
],
[
2.80665177,
1.62042116,
4.58324315
]
] |
agm004274377
|
[
[
8.41995531,
4.8612634725,
3.4374323625
],
[
0,
0,
0
],
[
5.61330354,
3.240842315,
2.291621575
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Ba",
"Pb",
"Y"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
1.9074696,
0,
0
],
[
0,
1.9074696,
0
],
[
0,
0,
1.9074696
]
] | -10.85007 | -10.85007 |
[
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000115 |
[
8.123,
12.01,
8.891
] | 3.163689 |
pbe
| true |
199601f223cee00976b1c393110c9b6e_216_Ba1Y1Pb1
| 216 |
[
"Ag",
"Mn",
"Zr"
] | 4 |
A2BC
|
AgMn2Zr
|
Zr Mn2 Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
9.20444231,
-0.08843346,
-0.05185719
],
[
8.75518831,
2.84187551,
-0.05185719
],
[
8.75518831,
1.34228282,
2.50543857
]
] |
agm004274378
|
[
[
19.846770513999918,
3.0427648338686364,
1.7842707061481977
],
[
26.52337679747297,
4.066374332180098,
2.3845130982130733
],
[
6.915037111016055,
1.0601640066052063,
0.621677876529593
],
[
13.501863169659241,
2.0700090433033074,
1.2138488181263773
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Mn",
"Mn",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
5.229014,
0.018006,
0.01055868
],
[
0.018006,
5.1143284,
0.00161878
],
[
0.01055868,
0.00161878,
5.112517
]
] | -28.564702 | -28.564701 |
[
0.013,
3.361,
-2.982,
-0.025
] |
[
[
-0.00039434,
-0.00006046,
-0.00003545
],
[
0.00472096,
0.00072378,
0.00042442
],
[
-0.01511278,
-0.00231698,
-0.00135867
],
[
0.01078616,
0.00165366,
0.0009697
]
] | 0.37364 |
[
9.524,
11.513,
11.582,
10.166
] | 3.999677 |
pbe
| true |
b775e2781b4b7b2a8fe1aece913b4fbd_160_Zr1Mn2Ag1
| 160 |
[
"Ag",
"Fe",
"Tc"
] | 4 |
A2BC
|
AgFeTc2
|
Fe Tc2 Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.76640226,
0.02471401,
0.00110278
],
[
4.0187256,
2.56301499,
0.00110278
],
[
0.75411318,
0.22213001,
4.84773941
]
] |
agm004274379
|
[
[
4.804190103504099,
1.4151122496648536,
2.3452455091948012
],
[
2.449290872339125,
0.7214580276295373,
1.2079443763573228
],
[
9.429269392908457,
2.777465990247378,
4.8010191052506554
],
[
7.165352231248317,
2.1106112574582316,
3.77065343419722
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Fe",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
5.5135126,
0.02579469,
0.11329432
],
[
0.02579469,
5.43354,
0.03337174
],
[
0.11329486,
0.0333719,
5.41527
]
] | -30.362467 | -30.362467 |
[
0.015,
2.472,
-0.081,
-0.144
] |
[
[
0.00041063,
0.00012096,
-0.00233071
],
[
0.00326282,
0.00096109,
0.00088771
],
[
-0.00289076,
-0.0008515,
-0.00195851
],
[
-0.0007827,
-0.00023055,
0.00340151
]
] | 2.232615 |
[
9.659,
12.64,
11.409,
11.372
] | 4.422094 |
pbe
| true |
663065aa4218a972f4c3b48846d133ad_8_Fe1Tc2Ag1
| 8 |
[
"Os",
"Rh",
"Tc"
] | 4 |
A2BC
|
OsRh2Tc
|
Tc Os Rh2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.73799094,
0.00227802,
0.00002257
],
[
3.95838604,
2.60379401,
0.00002257
],
[
0.78022142,
0.23381153,
4.62878632
]
] |
agm004274380
|
[
[
2.3691496,
0.70997089,
1.157207865
],
[
8.69061287982867,
2.6043446830504258,
0.005188566651219399
],
[
4.744063300171331,
1.421669126949575,
2.3092723033487803
],
[
7.107448800000001,
2.12991267,
3.4716235949999996
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Os",
"Rh",
"Rh",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
12.102224,
0.05535987,
-0.05208152
],
[
0.05535987,
11.93408,
-0.01560744
],
[
-0.05208112,
-0.01560732,
11.897817
]
] | -36.227011 | -36.227013 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
-0.00217222,
-0.00065096,
-0.00397447
],
[
0.00217222,
0.00065096,
0.00397447
],
[
0,
0,
0
]
] | 0.000004 |
[
12.573,
13.353,
13.353,
11.404
] | 4.432082 |
pbe
| true |
d1328f4f973b524becdced5dcb0223e0_12_Tc1Os1Rh2
| 12 |
[
"Ag",
"Fe",
"Tc"
] | 4 |
A2BC
|
AgFeTc2
|
Fe Tc2 Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.87037228,
0.00266668,
1e-8
],
[
1.95434898,
4.46105967,
1e-8
],
[
-3.41236329,
-2.23186491,
2.66366086
]
] |
agm004274381
|
[
[
0.97717316,
2.2305289674999997,
1.3318304399999998
],
[
2.43518481,
0.0013324724999999038,
1.3318304399999998
],
[
0,
0,
0
],
[
3.41236063,
2.231863175,
1e-8
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Fe",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
6.0021772,
0.28590772,
-0.00000554
],
[
0.28590772,
5.7520432,
-0.00000362
],
[
-0.00000554,
-0.00000362,
5.5650244
]
] | -30.186132 | -30.186132 |
[
0.015,
2.304,
-0.102,
-0.102
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.083756 |
[
9.696,
12.658,
11.364,
11.364
] | 3.317298 |
pbe
| true |
68258347fcefad54e2cabfd7df582a28_139_Fe1Tc2Ag1
| 139 |
[
"Cd",
"Mo",
"Zr"
] | 4 |
A2BC
|
CdMo2Zr
|
Zr Cd Mo2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.87523216,
0,
0
],
[
0,
2.81862676,
-0.00935849
],
[
0,
0.79244282,
5.45770231
]
] |
agm004274382
|
[
[
2.43761608,
2.7083021849999995,
4.086257865
],
[
0,
2.7088666835601787,
0.1640551525499882
],
[
0,
1.915294866439821,
2.5507582674500116
],
[
2.43761608,
0.9027673949999999,
1.362085955
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}]
|
[
"Cd",
"Mo",
"Mo",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
4.582369,
0,
0
],
[
0,
4.9990454,
-0.1124932
],
[
0,
-0.11249369,
5.2043734
]
] | -30.040689 | -30.04069 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0.00492375,
-0.00407618
],
[
0,
-0.00492375,
0.00407618
],
[
0,
0,
0
]
] | 0.000002 |
[
10.441,
10.569,
10.569,
10.206
] | 3.314824 |
pbe
| true |
daa83d3472bed67faa05a49fa0cc71d7_10_Zr1Cd1Mo2
| 10 |
[
"Ba",
"Ir",
"Pt"
] | 4 |
A2BC
|
BaIr2Pt
|
Ba Ir2 Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
10.12443997,
0.00355402,
0.00208232
],
[
9.6851891,
2.94981517,
0.00208232
],
[
9.6851891,
1.44394117,
2.57224566
]
] |
agm004274383
|
[
[
29.104499083643667,
4.339118641297147,
2.542315425823156
],
[
15.137728171356333,
2.256846898702853,
1.3223000241768441
],
[
22.1211136275,
3.29798277,
1.932307725
],
[
7.3737045425000005,
1.0993275900000001,
0.644102575
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Ir",
"Ir",
"Ba",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
4.5973086,
0.02928148,
0.01715619
],
[
0.02928148,
4.4052696,
0.00255777
],
[
0.01715619,
0.00255777,
4.4024024
]
] | -22.583238 | -22.583239 |
[
0,
0,
0,
0
] |
[
[
0.00555975,
0.00082889,
0.00048565
],
[
-0.00555975,
-0.00082889,
-0.00048565
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000145 |
[
7.938,
7.938,
8.569,
8.636
] | 6.401883 |
pbe
| true |
65184727dd6ad1ce77c9672cbc7bbc3d_166_Ba1Ir2Pt1
| 166 |
[
"Mo",
"Ru",
"W"
] | 4 |
A2BC
|
MoRu2W
|
Mo Ru2 W
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.23010229,
0,
0
],
[
0,
2.74799483,
0.01770763
],
[
0,
1.47750448,
5.22032429
]
] |
agm004274384
|
[
[
2.115051145,
3.1691244825,
3.92852394
],
[
0,
0.27489017118579834,
0.0191423424422128
],
[
0,
1.8378594838142017,
2.599873617557787
],
[
2.115051145,
1.0563748275,
1.30950798
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Mo",
"Ru",
"Ru",
"W"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
10.721894,
0,
0
],
[
0,
10.848296,
-0.00467498
],
[
0,
-0.00467497,
11.264659
]
] | -41.814654 | -41.814655 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
-0.00255817,
-0.00535279
],
[
0,
0.00255817,
0.00535279
],
[
0,
0,
0
]
] | -0.000002 |
[
10.678,
12.764,
12.764,
10.159
] | 3.821281 |
pbe
| true |
ca70058dccbf435d2cd5e3a1a03d745d_10_Mo1Ru2W1
| 10 |
[
"Mo",
"Ru",
"W"
] | 4 |
A2BC
|
MoRu2W
|
Mo Ru2 W
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.74758586,
0.00282527,
0
],
[
-0.00327358,
2.74758536,
0
],
[
0,
0,
7.98329021
]
] |
agm004274385
|
[
[
1.37215614,
1.375205315,
6.076737846455948
],
[
0,
0,
0.0584136546336679
],
[
1.37215614,
1.375205315,
1.9356663851121954
],
[
0,
0,
3.9041174287981892
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Mo",
"Ru",
"Ru",
"W"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
10.751178,
0.07300547,
0
],
[
0.07300547,
10.751502,
0
],
[
0,
0,
10.318603
]
] | -41.734536 | -41.734535 |
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00700443
],
[
0,
0,
-0.00607868
],
[
0,
0,
0.00226116
],
[
0,
0,
0.01082195
]
] | 0.000003 |
[
10.697,
12.735,
12.76,
10.116
] | 4.649272 |
pbe
| true |
f6ff3e18f990c6c99247af71fa1afa46_99_Mo1Ru2W1
| 35 |
[
"Ag",
"Mn",
"Zr"
] | 4 |
A2BC
|
Ag2MnZr
|
Zr Mn Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
9.58643057,
-0.01463046,
-0.00858704
],
[
9.11639944,
2.96498338,
-0.00858704
],
[
9.11639944,
1.43810299,
2.59288642
]
] |
agm004274386
|
[
[
27.749428777771595,
4.377444923045337,
2.569249671681953
],
[
6.86884037965361,
1.083552771046918,
0.6359686187269321
],
[
13.96809992564962,
2.2034539375132702,
1.2932711673237525
],
[
20.961704820117472,
3.306688187279034,
1.9407914180244865
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Mn",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.012603,
0.01283655,
0.00753415
],
[
0.01283655,
5.9332547,
0.0011885
],
[
0.00753415,
0.0011885,
5.931927
]
] | -22.654209 | -22.65421 |
[
0.019,
0.031,
3.569,
-0.005
] |
[
[
-0.00270078,
-0.00042605,
-0.00025006
],
[
0.00160435,
0.00025309,
0.00014854
],
[
-0.00308978,
-0.00048741,
-0.00028608
],
[
0.00418621,
0.00066037,
0.00038759
]
] | 3.808219 |
[
9.503,
9.501,
11.446,
10.121
] | 3.57861 |
pbe
| true |
dd20b1c2783295ce9cbd9c723e89ad2e_160_Zr1Mn1Ag2
| 160 |
[
"Fe",
"Hg",
"W"
] | 4 |
A2BC
|
FeHgW2
|
Fe Hg W2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.85378561,
0.06260938,
-0.18301625
],
[
4.04988676,
2.67611135,
-0.18301625
],
[
0.82498345,
0.25376038,
5.06010692
]
] |
agm004274387
|
[
[
4.836047419488399,
1.4875416314122212,
2.362598286574182
],
[
2.409806861065977,
0.7412433581824475,
1.242440615861286
],
[
0.8147432351453618,
0.2506105461269466,
4.977554171847526
],
[
7.3573695752635375,
2.263086481891178,
3.5186254793773313
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Fe",
"Hg",
"W",
"W"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
4.0534225,
-0.06518679,
-0.11227867
],
[
-0.06518679,
4.2452955,
-0.0345363
],
[
-0.11227859,
-0.03453628,
4.1483407
]
] | -32.101913 | -32.101913 |
[
2.435,
-0.012,
-0.052,
-0.001
] |
[
[
-0.00205024,
-0.00063064,
-0.00001532
],
[
0.00196241,
0.00060363,
-0.00108294
],
[
-0.00117818,
-0.0003624,
-0.00220385
],
[
0.00126601,
0.00038942,
0.00330212
]
] | 2.326838 |
[
12.609,
10.772,
10.028,
10.061
] | 3.141281 |
pbe
| true |
3723e008afcca2fb672ce566d4e90822_8_Fe1Hg1W2
| 8 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
AgReTa2
|
Ta2 Re Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.02508398,
-0.00479536,
-0.00482231
],
[
4.25986801,
2.6655237,
-0.00482231
],
[
0.64129968,
0.18377308,
5.11600787
]
] |
agm004274388
|
[
[
2.4277511140764156,
0.6957048562783036,
1.2121227376707808
],
[
4.998071229230046,
1.4322647844723195,
2.6037099358551763
],
[
9.27769730094893,
2.658649410898478,
0.07957350860370829
],
[
7.470809844331611,
2.1408614165131685,
3.754494021710255
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ta",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
7.1765428,
-0.11477206,
-0.13969158
],
[
-0.11477206,
7.544165,
-0.04003051
],
[
-0.13969149,
-0.04003048,
7.3059397
]
] | -37.860064 | -37.860065 |
[
0,
0,
0,
0
] |
[
[
0.0021908,
0.0006278,
0.00110454
],
[
0.00422228,
0.00120995,
-0.00113689
],
[
-0.0081368,
-0.00233171,
-0.0008238
],
[
0.00172373,
0.00049396,
0.00085615
]
] | -0.000003 |
[
11.194,
9.641,
8.876,
8.84
] | 3.333473 |
pbe
| true |
aac28a6590b7f743eb5a3ead533c8208_8_Ta2Re1Ag1
| 8 |
[
"Ag",
"Fe",
"Tc"
] | 4 |
A2BC
|
AgFeTc2
|
Fe Tc2 Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.18915265,
0.03040115,
-0.04735198
],
[
-2.51658885,
4.53817254,
-0.04735198
],
[
0.36167966,
0.61826781,
2.48978899
]
] |
agm004274389
|
[
[
2.775416155,
0.32433448,
1.221218505
],
[
-1.077454595,
2.578220175,
1.221218505
],
[
0,
0,
0
],
[
1.3362818999999997,
2.284286845,
-0.04735198
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Fe",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
5.2242403,
0.10741253,
-0.06196474
],
[
0.10741253,
5.34502,
-0.10592468
],
[
-0.06196443,
-0.10592415,
6.138817
]
] | -30.067124 | -30.067123 |
[
0.012,
2.709,
0.079,
0.079
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.869995 |
[
9.685,
12.588,
11.359,
11.359
] | 3.557532 |
pbe
| true |
663065aa4218a972f4c3b48846d133ad_12_Fe1Tc2Ag1
| 12 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
As2BeCu
|
Be Cu As2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.22163262,
0,
0
],
[
0,
4.03494976,
-0.2026639
],
[
0,
1.68571248,
4.91369818
]
] |
agm004274390
|
[
[
1.61081631,
1.43016556,
1.17775857
],
[
0,
4.029565455269222,
-0.023612882844896998
],
[
0,
2.865715424730778,
2.176466122844897
],
[
1.61081631,
4.29049668,
3.53327571
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"As",
"As",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-2.6635594,
0,
0
],
[
0,
-2.409517,
-0.04924434
],
[
0,
-0.04924428,
-2.8402753
]
] | -16.046093 | -16.046093 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0.00397426,
0.00047183
],
[
0,
-0.00397426,
-0.00047183
],
[
0,
0,
0
]
] | 0 |
[
2.726,
2.755,
2.755,
15.324
] | 1.235239 |
pbe
| true |
73d7beca7ae77580e5604d0d1b1c5952_10_Be1Cu1As2
| 10 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
As2BeCu
|
Be Cu As2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.82119333,
-0.02594321,
-0.0274085
],
[
3.85559976,
4.36134332,
0.02740851
],
[
-4.80744084,
-2.23679341,
2.4027035
]
] |
agm004274392
|
[
[
0.13218299245966403,
-0.023741471467309427,
2.402703505104608
],
[
9.52618019223759,
4.267922468651922,
9.844356602050678e-9
],
[
2.366961895822886,
-0.2980121081896583,
1.1876475019222128
],
[
2.5523040270787813,
2.4189811487890465,
1.2150560081293678
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"As",
"As",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-2.5738943,
0.08211295,
0.08694211
],
[
0.08211295,
-2.7203856,
-0.19405964
],
[
0.08694211,
-0.19405964,
-2.7754333
]
] | -16.099076 | -16.099075 |
[
0,
0,
0,
0
] |
[
[
0.00392397,
0.00175802,
0
],
[
-0.00369991,
-0.00165763,
0
],
[
0.00037244,
0.00016686,
0
],
[
-0.00059651,
-0.00026725,
0
]
] | 0 |
[
2.727,
2.793,
2.676,
15.315
] | 1.510766 |
pbe
| true |
a3e2d27e26636db5bd5812d9cf60417e_44_Be1Cu1As2
| 44 |
[
"Hg",
"Se"
] | 4 |
A3B
|
Hg3Se
|
Hg3 Se
| 2 |
[
1,
1,
1
] | 3 |
[
[
3.06084701,
0,
0
],
[
-1.5304235,
2.65077127,
0
],
[
0,
0,
12.6325106
]
] |
agm004274394
|
[
[
0,
0,
12.586988842752476
],
[
0,
0,
6.361777057247523
],
[
1.530423521970902,
0.883590414497429,
3.15812765
],
[
1.530423521970902,
0.883590414497429,
9.474382949999999
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}]
|
[
"Hg",
"Hg",
"Hg",
"Se"
] |
2023-11-16 00:00:00
|
[
0.75,
0.25
] |
[
[
3.880726,
0,
0
],
[
0,
3.880726,
0
],
[
0,
0,
4.0036373
]
] | -3.572464 | -3.572464 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00655467
],
[
0,
0,
-0.00655467
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002 |
[
10.423,
10.423,
10.439,
3.612
] | 2.732557 |
pbe
| true |
de77fd08701d286378fae0ab4db41447_187_Hg3Se1
| 187 |
[
"Ag",
"Fe",
"Tc"
] | 4 |
A2BC
|
AgFeTc2
|
Fe Tc2 Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.6725723,
-0.04412124,
0
],
[
-0.96371539,
2.49315905,
0
],
[
0,
0,
9.02781361
]
] |
agm004274396
|
[
[
0,
0,
4.60269490046367
],
[
0.8544284550000001,
1.224518905,
6.906785135887428
],
[
0,
0,
8.959916868289369
],
[
0.8544284550000001,
1.224518905,
2.1001371203595367
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Fe",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
5.933895,
-0.23444884,
0
],
[
-0.23444884,
5.761487,
0
],
[
0,
0,
5.651665
]
] | -30.675433 | -30.675432 |
[
-0.001,
2.675,
0.115,
-0.031
] |
[
[
0,
0,
-0.00273044
],
[
0,
0,
-0.00323939
],
[
0,
0,
0.00317652
],
[
0,
0,
0.00279331
]
] | 2.73542 |
[
9.596,
12.616,
11.456,
11.371
] | 3.736991 |
pbe
| true |
0d742eef375cb6fde9abb9ca42cafdc5_35_Fe1Tc2Ag1
| 35 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
AgReTa2
|
Ta2 Re Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.42471889,
-0.0044753,
-0.00174371
],
[
2.51595396,
4.80599321,
0.00174371
],
[
-3.50295044,
-3.17371325,
2.66166875
]
] |
agm004274397
|
[
[
1.3914484376650234,
1.955918107517696,
1.33170623
],
[
0.3989169775037755,
-0.8143557192852291,
2.66166875
],
[
0.1245253934135145,
0.0752972598190827,
8.52752782370958e-22
],
[
2.990217665824415,
-0.36200923503637106,
1.32996252
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ta",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
7.636312,
0.01263156,
-0.02176022
],
[
0.01263156,
7.62306,
0.03598988
],
[
-0.02176022,
0.03598988,
7.6440315
]
] | -38.086384 | -38.086384 |
[
0,
0,
0,
0
] |
[
[
0.01458479,
0.00881904,
0
],
[
-0.00419133,
-0.00253439,
0
],
[
-0.01293169,
-0.00781946,
0
],
[
0.00253823,
0.0015348,
0
]
] | -0.000013 |
[
11.296,
9.637,
8.857,
8.761
] | 3.327182 |
pbe
| true |
5bab114ec733e73269039f7c0a7f90aa_44_Ta2Re1Ag1
| 44 |
[
"Te",
"Tl",
"Y"
] | 3 |
ABC
|
TeTlY
|
Y Tl Te
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.81234965,
0.08064906,
-0.08841064
],
[
5.63105325,
3.83539481,
-0.08470777
],
[
1.18155992,
0.36808825,
3.73657814
]
] |
agm004274398
|
[
[
1.6463861349665099,
0.5146674860239447,
3.575334064076844
],
[
4.654977049015098,
1.4621742875794062,
2.5305662600759264
],
[
8.505159499710494,
2.675378599271041,
1.194137584097118
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Te",
"Tl",
"Y"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
1.7823895,
-0.00560597,
0.00496568
],
[
-0.00560587,
1.7977899,
-0.00208607
],
[
0.00496577,
-0.00208618,
1.7985717
]
] | -13.972994 | -13.972994 |
[
0,
0,
0
] |
[
[
0.00131247,
0.00050878,
-0.00055455
],
[
0.00456332,
0.00148471,
-0.00136717
],
[
-0.00587579,
-0.00199349,
0.00192172
]
] | -0.000002 |
[
3.453,
11.194,
9.017
] | 1.448366 |
pbe
| true |
57b0635333095868c6c30ce55ba23e0a_107_Y1Tl1Te1
| 8 |
[
"Cd",
"Mo",
"Zr"
] | 4 |
A2BC
|
Cd2MoZr
|
Zr Cd2 Mo
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.75014942,
0,
0
],
[
0,
3.75014942,
0
],
[
0,
0,
5.64682588
]
] |
agm004274400
|
[
[
0,
0,
0.052733617567744404
],
[
0,
0,
2.7706793224322555
],
[
1.87507471,
1.87507471,
1.41170647
],
[
1.87507471,
1.87507471,
4.235119409999999
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}]
|
[
"Cd",
"Cd",
"Mo",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.5904117,
0,
0
],
[
0,
5.5904117,
0
],
[
0,
0,
6.0399814
]
] | -19.946388 | -19.946388 |
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00053747
],
[
0,
0,
0.00053747
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00008 |
[
10.464,
10.464,
10.433,
9.981
] | 2.585065 |
pbe
| true |
7f488be8e5f63f52fedabd104542caee_123_Zr1Cd2Mo1
| 123 |
[
"Ag",
"Mn",
"Zr"
] | 4 |
A2BC
|
Ag2MnZr
|
Zr Mn Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.38939511,
0.0254798,
0.08344295
],
[
-2.50770904,
4.50105724,
-0.02578802
],
[
1.37397569,
0.77886139,
2.55066644
]
] |
agm004274401
|
[
[
0,
0,
0
],
[
3.8816854,
0.402170595,
1.317054695
],
[
-0.566866675,
2.639959315,
1.2624392100000001
],
[
1.9408430349999999,
2.26326852,
0.028827465000000004
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Mn",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.5213294,
-0.06793098,
-0.22246805
],
[
-0.06793073,
6.039648,
-0.14203642
],
[
-0.22246723,
-0.14203642,
5.6178675
]
] | -22.545142 | -22.545141 |
[
-0.023,
-0.023,
3.481,
-0.368
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.011354 |
[
9.557,
9.557,
11.413,
10.005
] | 3.163084 |
pbe
| true |
a1a726114bae87bf29b349bd43448eaa_65_Zr1Mn1Ag2
| 12 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
AgReTa2
|
Ta2 Re Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.11450543,
-0.01684582,
0.01715529
],
[
-1.79710046,
4.78841096,
0.01715529
],
[
0.24437468,
0.35149452,
2.78932687
]
] |
agm004274402
|
[
[
-0.77636289,
2.56995274,
1.40324108
],
[
2.679440055,
0.16732434999999998,
1.40324108
],
[
0,
0,
0
],
[
1.658702485,
2.38578257,
0.01715529
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ta",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
7.4969435,
-0.5168004,
-0.04781942
],
[
-0.5168004,
7.11291,
-0.06878071
],
[
-0.0478191,
-0.06878026,
7.6024776
]
] | -38.135483 | -38.135483 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000005 |
[
11.211,
9.657,
8.851,
8.851
] | 3.04872 |
pbe
| true |
aac28a6590b7f743eb5a3ead533c8208_12_Ta2Re1Ag1
| 12 |
[
"Hg",
"Se"
] | 4 |
AB
|
HgSe
|
Hg2 Se2
| 2 |
[
1,
1,
1
] | 3 |
[
[
8.91619028,
0.09728011,
0.05889615
],
[
7.75338885,
4.40373408,
0.05889615
],
[
7.75338885,
2.09352096,
3.87472743
]
] |
agm004274403
|
[
[
23.509420512736426,
6.347864848135112,
3.8431784914442204
],
[
19.230773452263573,
5.192571664364889,
3.14373103605578
],
[
11.524525248534792,
3.111779325950915,
1.8839599868180439
],
[
6.792700736465209,
1.8341220365490856,
1.1104298106819561
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}]
|
[
"Hg",
"Hg",
"Se",
"Se"
] |
2023-11-16 00:00:00
|
[
0.5,
0.5
] |
[
[
0.8728342,
-0.13460612,
-0.08149439
],
[
-0.13460612,
1.3350047,
-0.0220046
],
[
-0.08149439,
-0.0220046,
1.3580279
]
] | -7.766826 | -7.766826 |
[
0,
0,
0,
0
] |
[
[
-0.00265976,
-0.00071817,
-0.0004348
],
[
0.00265976,
0.00071817,
0.0004348
],
[
0.00285036,
0.00076964,
0.00046596
],
[
-0.00285036,
-0.00076964,
-0.00046596
]
] | 0 |
[
10.45,
10.45,
3.763,
3.763
] | 0.628679 |
pbe
| true |
c3a90139f6af9c4bc46c33ae25bd515f_166_Hg2Se2
| 166 |
[
"Ag",
"Fe",
"Tc"
] | 4 |
A2BC
|
AgFeTc2
|
Fe Tc2 Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.74940293,
0,
0
],
[
0,
3.85540186,
0
],
[
0,
0,
5.60003789
]
] |
agm004274404
|
[
[
0,
0,
2.8553426153213723
],
[
1.374701465,
1.92770093,
4.297093930247749
],
[
0,
0,
0.0312547074701524
],
[
1.374701465,
1.92770093,
1.2163655259603474
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Fe",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
5.492383,
0,
0
],
[
0,
5.6329603,
0
],
[
0,
0,
5.634199
]
] | -30.626318 | -30.626318 |
[
0.011,
2.632,
-0.112,
0.045
] |
[
[
0,
0,
0.00173236
],
[
0,
0,
0.00111642
],
[
0,
0,
-0.00311507
],
[
0,
0,
0.00026629
]
] | 2.565102 |
[
9.61,
12.621,
11.445,
11.418
] | 3.965881 |
pbe
| true |
663065aa4218a972f4c3b48846d133ad_25_Fe1Tc2Ag1
| 25 |
[
"Ba",
"Ir",
"Pt"
] | 4 |
A2BC
|
BaIr2Pt
|
Ba Ir2 Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
10.19222693,
0.01459129,
0.00854759
],
[
9.75857286,
2.94142116,
0.00854759
],
[
9.75857286,
1.44588002,
2.56153517
]
] |
agm004274405
|
[
[
29.30396181884909,
4.341824729562552,
2.5434426438932385
],
[
7.478015171398114,
1.1079809412779071,
0.6490556736386565
],
[
22.273358807092098,
3.3001346601826307,
1.9332201892323526
],
[
15.218096124754425,
2.2547908879958354,
1.320857394022056
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Ir",
"Ir",
"Ba",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
4.6853757,
0.03091858,
0.01811212
],
[
0.03091858,
4.4812803,
0.00268358
],
[
0.01811212,
0.00268358,
4.4782715
]
] | -23.07528 | -23.075281 |
[
0,
0,
0,
0
] |
[
[
0.00738065,
0.00109355,
0.0006406
],
[
-0.00990483,
-0.00146755,
-0.00085969
],
[
0.00470352,
0.0006969,
0.00040824
],
[
-0.00217934,
-0.0003229,
-0.00018916
]
] | 0.000358 |
[
7.99,
8.016,
8.593,
8.59
] | 4.378223 |
pbe
| true |
5d9e22d4ac27f1b08c24684f7b3336a6_160_Ba1Ir2Pt1
| 160 |
[
"Os",
"Rh",
"Tc"
] | 4 |
A2BC
|
OsRhTc2
|
Tc2 Os Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.70555184,
0.00525985,
0
],
[
1.50952584,
4.45685736,
0
],
[
-3.10754072,
-2.23105995,
2.74003796
]
] |
agm004274406
|
[
[
0.7547619800000003,
2.2284280075,
1.37001898
],
[
2.3527749800000004,
0.002629252500000012,
1.37001898
],
[
0,
0,
0
],
[
3.10753884,
2.231058605,
0
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Os",
"Rh",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
10.248157,
0.13953125,
-0.00000689
],
[
0.13953125,
10.153987,
-0.00000495
],
[
-0.00000689,
-0.00000495,
10.053786
]
] | -39.364365 | -39.364365 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000068 |
[
12.603,
13.42,
11.418,
11.418
] | 4.435053 |
pbe
| true |
7a5193bd67e21585586084601b7c8763_139_Tc2Os1Rh1
| 139 |
[
"Ag",
"Fe",
"Tc"
] | 3 |
ABC
|
AgFeTc
|
Fe Tc Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.91668654,
0.94708702,
-0.32485043
],
[
4.09786418,
4.37168924,
0.32485024
],
[
-4.85498683,
-2.9461258,
1.93884623
]
] |
agm004274407
|
[
[
5.100311699064541,
2.3411813351923216,
1.938846041124156
],
[
-1.6775004762853887,
-1.2585474495444302,
1.9388461697154775
],
[
6.896316557220848,
3.662667034352109,
-1.3083963350986899e-7
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Fe",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
7.1262536,
0.49486265,
-0.3154351
],
[
0.49486348,
7.822478,
-0.26578283
],
[
-0.31543565,
-0.2657831,
7.1994886
]
] | -20.595258 | -20.595259 |
[
0.012,
1.556,
-0.286
] |
[
[
-0.00734027,
-0.00034534,
-0.00223758
],
[
0.01355877,
0.00958997,
-0.00150437
],
[
-0.0062185,
-0.00924463,
0.00374195
]
] | 1.303845 |
[
9.567,
12.837,
11.441
] | 2.895704 |
pbe
| true |
fe0cd11404104651fbedee09daff0914_107_Fe1Tc1Ag1
| 44 |
[
"Cd",
"Pt"
] | 4 |
AB
|
CdPt
|
Cd2 Pt2
| 2 |
[
1,
1,
1
] | 3 |
[
[
2.9895554,
0,
0
],
[
-1.4947777,
2.58903092,
0
],
[
0,
0,
9.12581187
]
] |
agm004274408
|
[
[
-1.4947777035810334e-8,
1.7260206219634364,
2.2814529675
],
[
1.494777714947777,
0.8630102980365635,
6.8443589025
],
[
0,
0,
0
],
[
0,
0,
4.562905935
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Pt",
"Pt",
"Cd",
"Cd"
] |
2023-11-16 00:00:00
|
[
0.5,
0.5
] |
[
[
8.109728,
0,
0
],
[
0,
8.109728,
0
],
[
0,
0,
8.297563
]
] | -14.67225 | -14.672251 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 |
[
8.627,
8.627,
10.373,
10.373
] | 1.742274 |
pbe
| true |
9c1f9bf8011510600fc80826ae41f7d4_194_Cd2Pt2
| 194 |
[
"Ag",
"Mn",
"Zr"
] | 4 |
A2BC
|
Ag2MnZr
|
Zr Mn Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.24183314,
-0.00266069,
0
],
[
2.18432023,
4.76503587,
0
],
[
-3.71307506,
-2.38118655,
2.83193325
]
] |
agm004274409
|
[
[
0,
0,
0
],
[
3.713076685,
2.38118759,
0
],
[
1.0921609275,
2.382518455,
1.415966625
],
[
2.6209173825,
-0.0013298249999997847,
1.415966625
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Mn",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.413816,
-0.13329032,
0.00000322
],
[
-0.13329032,
5.536182,
0.00000206
],
[
0.00000322,
0.00000206,
5.6216726
]
] | -22.965033 | -22.965033 |
[
-0.031,
-0.031,
3.011,
-0.559
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.265985 |
[
9.569,
9.569,
11.524,
9.951
] | 2.853485 |
pbe
| true |
e9d204d5584e7065119e5f8320abeb37_139_Zr1Mn1Ag2
| 139 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
AgReTa2
|
Ta2 Re Ag
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.70293852,
0,
0
],
[
0,
4.44515435,
0
],
[
0,
0,
5.74926953
]
] |
agm004274410
|
[
[
1.35146926,
2.222577175,
4.389400729816717
],
[
0,
0,
2.8512042494501335
],
[
0,
0,
5.658933730061008
],
[
1.35146926,
2.222577175,
1.4736351731648383
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ta",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
7.5288744,
0,
0
],
[
0,
7.3156924,
0
],
[
0,
0,
7.055316
]
] | -37.712024 | -37.712025 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00835475
],
[
0,
0,
-0.00170935
],
[
0,
0,
-0.00751661
],
[
0,
0,
0.00087121
]
] | 0 |
[
11.202,
9.617,
8.917,
8.877
] | 3.3026 |
pbe
| true |
aac28a6590b7f743eb5a3ead533c8208_25_Ta2Re1Ag1
| 25 |
[
"Ag",
"Mn",
"Zr"
] | 4 |
A2BC
|
Ag2MnZr
|
Zr Mn Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.32461836,
0,
0
],
[
0,
3.32622871,
0.01252716
],
[
0,
3.30911368,
6.59640573
]
] |
agm004274411
|
[
[
0,
3.3261329108087416,
0.11026102221528089
],
[
1.66230918,
1.6585350615127397,
1.7302895415065602
],
[
0,
3.3177889400251597,
3.2156795856175964
],
[
1.66230918,
4.976785349562221,
4.869696279696504
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Mn",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.8838797,
0,
0
],
[
0,
5.80115,
-0.12729152
],
[
0,
-0.12729175,
5.717566
]
] | -23.13215 | -23.13215 |
[
-0.001,
0.028,
3.413,
-0.399
] |
[
[
0,
-0.00002085,
-0.00245387
],
[
0,
0.00002115,
-0.00057541
],
[
0,
-0.00026827,
0.00301806
],
[
0,
0.00026797,
0.00001122
]
] | 2.968056 |
[
9.548,
9.54,
11.492,
9.927
] | 2.100666 |
pbe
| true |
133d057bd138899ef3c88ecdee102955_99_Zr1Mn1Ag2
| 6 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
Ag2ReTa
|
Ta Re Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.58946501,
0,
0
],
[
2.2947325,
3.97459328,
0
],
[
2.2947325,
1.32486443,
3.74728249
]
] |
agm004274412
|
[
[
4.589465005,
2.649728855,
1.873641245
],
[
0,
0,
0
],
[
6.8841975075,
3.9745932825,
2.8104618675
],
[
2.2947325025,
1.3248644275,
0.9368206225
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.598246,
0,
0
],
[
0,
7.598246,
0
],
[
0,
0,
7.598246
]
] | -27.854979 | -27.854979 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000019 |
[
11.193,
9.584,
9.589,
8.731
] | 3.264201 |
pbe
| true |
6bb0c62eb09fe94d694baf1692b7a6ab_216_Ta1Re1Ag2
| 216 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
Ag2ReTa
|
Ta Re Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.90143159,
0.00149551,
-0.0058308
],
[
4.15630952,
2.59790781,
-0.0058308
],
[
0.53537071,
0.15364144,
5.30163201
]
] |
agm004274413
|
[
[
4.7576959892585355,
1.3653703051495416,
2.5849250996954822
],
[
0.5388595559657893,
0.1546426739563776,
5.231674841855655
],
[
7.216719517671043,
2.071064345458289,
4.022438625754571
],
[
2.4117634623283353,
0.6921312798934108,
1.3975490045613543
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.563366,
-0.00986023,
-0.02674959
],
[
-0.00986023,
7.5948944,
-0.00767664
],
[
-0.02674863,
-0.00767636,
7.7332425
]
] | -28.218536 | -28.218536 |
[
0,
0,
0,
0
] |
[
[
0.00598035,
0.00171625,
-0.0021553
],
[
0.00437297,
0.00125496,
0.00305282
],
[
-0.00471883,
-0.00135422,
-0.00503285
],
[
-0.00563448,
-0.00161699,
0.00413534
]
] | -0.000003 |
[
11.151,
9.582,
9.603,
8.851
] | 2.11684 |
pbe
| true |
81696208e0fc90cd7c7e1463c17df158_8_Ta1Re1Ag2
| 8 |
[
"Cr",
"Y"
] | 4 |
A3B
|
Cr3Y
|
Y Cr3
| 2 |
[
1,
1,
1
] | 3 |
[
[
3.10380378,
0,
0
],
[
0,
4.33020478,
0
],
[
0,
0,
5.2668319
]
] |
agm004274414
|
[
[
0,
0,
4.758046510830899
],
[
1.55190189,
0,
3.2008618908266877
],
[
1.55190189,
2.16510239,
4.35711625333974
],
[
0,
2.16510239,
1.7288604818937647
]
] |
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Cr",
"Cr",
"Cr",
"Y"
] |
2023-11-16 00:00:00
|
[
0.75,
0.25
] |
[
[
1.7187756,
0,
0
],
[
0,
1.6953878,
0
],
[
0,
0,
2.2510295
]
] | -32.734453 | -32.73445 |
[
-0.973,
0.142,
2.087,
-0.063
] |
[
[
0,
0,
-0.00666835
],
[
0,
0,
-0.00037523
],
[
0,
0,
0.00437611
],
[
0,
0,
0.00266747
]
] | 1.230252 |
[
10.905,
11.059,
10.74,
9.268
] | 4.290685 |
pbe
| true |
cd6bfc4b443b32fa518a3a0f0634dada_25_Y1Cr3
| 25 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
Ag2ReTa
|
Ta Re Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.88100529,
-0.00040918,
1e-8
],
[
1.35012294,
4.69056295,
1e-8
],
[
-3.11556736,
-2.34507933,
2.93565253
]
] |
agm004274415
|
[
[
3.115564115,
2.345076885,
1e-8
],
[
0,
0,
0
],
[
0.6750598475,
2.3452802525000003,
1.467826275
],
[
2.4405010225,
-0.00020581249999995777,
1.467826275
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.602686,
0.01780372,
-0.00000835
],
[
0.01780372,
7.5924335,
-0.00000628
],
[
-0.00000835,
-0.00000628,
7.5790052
]
] | -28.0286 | -28.0286 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000011 |
[
11.165,
9.608,
9.616,
8.724
] | 1.591598 |
pbe
| true |
6bb0c62eb09fe94d694baf1692b7a6ab_119_Ta1Re1Ag2
| 119 |
[
"Co",
"Sc",
"W"
] | 4 |
A2BC
|
CoScW2
|
Sc Co W2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.14903187,
0,
0
],
[
0,
4.30367526,
0
],
[
0,
0,
4.66149989
]
] |
agm004274417
|
[
[
1.574515935,
0,
2.330749945
],
[
0,
2.15183763,
2.330749945
],
[
0,
0,
0
],
[
1.574515935,
2.15183763,
0
]
] |
[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Co",
"Sc",
"W",
"W"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
5.1264553,
0,
0
],
[
0,
5.5528407,
0
],
[
0,
0,
5.0363374
]
] | -38.808812 | -38.80881 |
[
0.779,
-0.081,
0.045,
-0.054
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.611087 |
[
8.136,
9.723,
10.066,
10.232
] | 3.561871 |
pbe
| true |
70a81d6b92c578ce02e170e5278562a3_47_Sc1Co1W2
| 47 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
Ag2ReTa
|
Ta Re Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.79970495,
-0.00097862,
0
],
[
-0.95985689,
2.63002348,
0
],
[
0,
0,
9.35431035
]
] |
agm004274418
|
[
[
0,
0,
4.782056095040763
],
[
0,
0,
9.329520679227672
],
[
0.9199240300000001,
1.31452243,
2.3784642732892967
],
[
0.9199240300000001,
1.31452243,
6.895734827442269
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.9913516,
0.0785396,
0
],
[
0.0785396,
8.048617,
0
],
[
0,
0,
7.9257135
]
] | -29.111709 | -29.11171 |
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.01994438
],
[
0,
0,
-0.00023141
],
[
0,
0,
-0.00130921
],
[
0,
0,
0.02148501
]
] | 0 |
[
11.194,
9.541,
9.528,
8.972
] | 1.880554 |
pbe
| true |
32088e67772eef7807841cd6f057f977_35_Ta1Re1Ag2
| 35 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
As2BeCu
|
Be Cu As2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.59304839,
0.03274806,
0
],
[
0.89732096,
4.50466215,
0
],
[
-2.74518498,
-2.26870536,
2.90070706
]
] |
agm004274419
|
[
[
0.44866032750000007,
2.2523309475,
1.45035353
],
[
0,
0,
0
],
[
2.745184675,
2.268705105,
0
],
[
2.2965240424999998,
0.016373902500000037,
1.45035353
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"As",
"As",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-2.6235487,
-0.22203317,
2.5e-7
],
[
-0.22203317,
-2.5383787,
2.1e-7
],
[
2.5e-7,
2.1e-7,
-2.3548827
]
] | -15.459529 | -15.459529 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000002 |
[
2.626,
2.691,
2.691,
15.321
] | 1.033549 |
pbe
| true |
a3e2d27e26636db5bd5812d9cf60417e_139_Be1Cu1As2
| 139 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
Ag2ReTa
|
Ta Re Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.55353245,
0,
0
],
[
0,
3.55353245,
0
],
[
0,
0,
5.40840012
]
] |
agm004274420
|
[
[
1.776766225,
1.776766225,
1.35210003
],
[
0,
0,
0.0143082470214672
],
[
0,
0,
2.6898918129785327
],
[
1.776766225,
1.776766225,
4.05630009
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.357673,
0,
0
],
[
0,
7.357673,
0
],
[
0,
0,
7.606397
]
] | -26.821468 | -26.821468 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0.00342861
],
[
0,
0,
-0.00342861
],
[
0,
0,
0
]
] | 0.000141 |
[
11.106,
9.654,
9.654,
8.714
] | 3.903419 |
pbe
| true |
80f01ef3c776dae5618520a436944290_123_Ta1Re1Ag2
| 123 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
Ag2ReTa
|
Ta Re Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.71392237,
0,
0
],
[
0,
2.71392237,
0
],
[
0,
0,
9.11612986
]
] |
agm004274421
|
[
[
1.356961185,
1.356961185,
2.279032465
],
[
0,
0,
0.032834294207150796
],
[
0,
0,
4.525230635792849
],
[
1.356961185,
1.356961185,
6.837097394999999
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.4245214,
0,
0
],
[
0,
7.4245214,
0
],
[
0,
0,
7.126896
]
] | -27.661593 | -27.661592 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0.0019887
],
[
0,
0,
-0.0019887
],
[
0,
0,
0
]
] | 0 |
[
11.086,
9.604,
9.604,
8.907
] | 2.783495 |
pbe
| true |
b65a3dbf2992f5be109c1026b40a050d_123_Ta1Re1Ag2
| 123 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
Ag2ReTa
|
Ta Re Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.82881619,
0,
0
],
[
0,
3.82881619,
0
],
[
0,
0,
4.5630907
]
] |
agm004274422
|
[
[
1.914408095,
0,
2.28154535
],
[
0,
0,
0
],
[
1.914408095,
1.914408095,
0
],
[
0,
1.914408095,
2.28154535
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.721052,
0,
0
],
[
0,
7.721052,
0
],
[
0,
0,
7.598437
]
] | -28.348282 | -28.348282 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000012 |
[
11.25,
9.604,
9.604,
8.773
] | 1.509102 |
pbe
| true |
6bb0c62eb09fe94d694baf1692b7a6ab_123_Ta1Re1Ag2
| 123 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
Ag2ReTa
|
Ta Re Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.24722189,
0.00588734,
-0.01606598
],
[
4.42894457,
2.8138625,
-0.01606598
],
[
0.83192426,
0.24243261,
4.58407128
]
] |
agm004274423
|
[
[
7.88106804,
2.2966368375,
3.41395449
],
[
0.8606550341319051,
0.2508050988489426,
4.571521426230614
],
[
5.2253145858680945,
1.5227187361510572,
2.2885195137693857
],
[
2.6270226799999996,
0.7655456125,
1.13798483
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.380724,
0.00992321,
0.05124153
],
[
0.00992321,
7.3495636,
0.01493239
],
[
0.0512427,
0.01493273,
7.800571
]
] | -28.450125 | -28.450125 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
-0.00257513,
-0.00075042,
-0.00155291
],
[
0.00257513,
0.00075042,
0.00155291
],
[
0,
0,
0
]
] | -0.000011 |
[
11.2,
9.583,
9.583,
8.808
] | 2.534163 |
pbe
| true |
81696208e0fc90cd7c7e1463c17df158_12_Ta1Re1Ag2
| 12 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
Ag2ReTa
|
Ta Re Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.97268713,
-0.00200001,
-0.00735091
],
[
-2.31320959,
5.20223804,
0.00840922
],
[
0.34627007,
0.71937385,
2.64401195
]
] |
agm004274424
|
[
[
-0.98346976,
2.960805945,
1.3262105849999999
],
[
0,
0,
0
],
[
2.6594786,
0.35868691999999996,
1.31833052
],
[
1.3297387699999998,
2.600119015,
0.0005291549999999999
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.7850614,
-0.04407367,
-0.16198368
],
[
-0.04407358,
7.7189984,
0.03714811
],
[
-0.16198333,
0.03714811,
7.8454227
]
] | -28.092509 | -28.09251 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 |
[
11.166,
9.58,
9.58,
8.84
] | 2.822603 |
pbe
| true |
81696208e0fc90cd7c7e1463c17df158_12_Ta1Re1Ag2
| 12 |
[
"Os",
"Rh",
"Tc"
] | 4 |
A2BC
|
OsRhTc2
|
Tc2 Os Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.74522569,
0.00091233,
-0.00745908
],
[
3.96113469,
2.6127724,
-0.00745908
],
[
0.7960838,
0.23898759,
4.6459286
]
] |
agm004274425
|
[
[
2.375611045,
0.7131680799999999,
1.1577526100000002
],
[
7.126833135,
2.13950424,
3.47325783
],
[
8.68622785780004,
2.6076408651170895,
0.017856188207127602
],
[
4.771354612199959,
1.4323800248829102,
2.2827308717928725
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Os",
"Rh",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
9.80187,
0.00405297,
0.02230617
],
[
0.00405297,
9.789586,
0.0066964
],
[
0.02230656,
0.00669652,
9.764207
]
] | -39.241731 | -39.24173 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00503806,
0.00151245,
-0.00820802
],
[
-0.00503806,
-0.00151245,
0.00820802
]
] | 0.000001 |
[
12.611,
13.376,
11.447,
11.447
] | 4.34217 |
pbe
| true |
d6a19cc7bfda82857270fa40a590ab7e_12_Tc2Os1Rh1
| 12 |
[
"Ag",
"Mn",
"Zr"
] | 4 |
A2BC
|
Ag2MnZr
|
Zr Mn Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.07692249,
-0.02198798,
0.02993716
],
[
4.18708638,
2.87122502,
0.02993716
],
[
1.08056201,
0.33233747,
4.9888365
]
] |
agm004274426
|
[
[
1.1049550054904598,
0.33983977570682566,
4.9368265843799595
],
[
7.817926974974418,
2.4044803282285314,
3.7742375022199117
],
[
5.149654551741586,
1.5838269027271992,
2.5422629797151743
],
[
2.524881879628007,
0.7765522535064393,
1.3085756143953315
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Mn",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.755282,
0.03904588,
-0.02803959
],
[
0.03904588,
5.6403375,
-0.00862385
],
[
-0.0280395,
-0.00862383,
5.7687397
]
] | -22.711534 | -22.711535 |
[
-0.003,
-0.006,
3.501,
-0.381
] |
[
[
0.00009497,
0.00002921,
0.00011279
],
[
0.00136481,
0.00041976,
-0.00008895
],
[
0.0038539,
0.0011853,
0.00007041
],
[
-0.00531368,
-0.00163427,
-0.00009425
]
] | 3.093934 |
[
9.525,
9.57,
11.437,
9.984
] | 3.766256 |
pbe
| true |
a1a726114bae87bf29b349bd43448eaa_8_Zr1Mn1Ag2
| 8 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
Ag2ReTa
|
Ta Re Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.97906113,
0,
0
],
[
0,
2.74782077,
-0.00698904
],
[
0,
0.76771422,
4.9847894
]
] |
agm004274427
|
[
[
2.489530565,
0.8788837475,
1.2444500900000002
],
[
0,
0.0547589268586431,
0.018932716022982403
],
[
0,
1.7030085681413571,
2.4699674639770177
],
[
2.489530565,
2.6366512425,
3.7333502700000003
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.592612,
0,
0
],
[
0,
7.5671415,
-0.15471527
],
[
0,
-0.15471506,
7.9929194
]
] | -28.126129 | -28.12613 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
-0.00086279,
0.0030877
],
[
0,
0.00086279,
-0.0030877
],
[
0,
0,
0
]
] | 0 |
[
11.177,
9.583,
9.583,
8.833
] | 3.460868 |
pbe
| true |
81696208e0fc90cd7c7e1463c17df158_10_Ta1Re1Ag2
| 10 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
AsBeCu2
|
Be Cu2 As
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.99856171,
0.01095677,
0.36308444
],
[
-2.23732277,
4.46991343,
0.36308444
],
[
0.71152411,
1.15464372,
2.534084
]
] |
agm004274428
|
[
[
-0.76289933,
2.812278575,
1.44858422
],
[
2.85504291,
0.5828002449999999,
1.44858422
],
[
0,
0,
0
],
[
1.3806194699999998,
2.2404351,
0.36308444
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"As",
"Cu",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
-6.298089,
0.00297411,
-0.22636119
],
[
0.00297411,
-6.2950954,
-0.36733335
],
[
-0.2263619,
-0.36733449,
-5.4788933
]
] | -15.589728 | -15.589728 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
2.695,
2.767,
15.353,
15.353
] | 0.94437 |
pbe
| true |
a5c8e20cf84bbe6c2ec8deb034a6d51f_12_Be1Cu2As1
| 12 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
AsBeCu2
|
Be Cu2 As
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.20958311,
0,
0
],
[
0,
3.20958311,
0
],
[
0,
0,
4.9052061
]
] |
agm004274429
|
[
[
1.604791555,
1.604791555,
3.744735040621233
],
[
0,
0,
2.465792315317863
],
[
0,
0,
4.844932104692664
],
[
1.604791555,
1.604791555,
1.20755578936824
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"As",
"Cu",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
-6.5513663,
0,
0
],
[
0,
-6.5513663,
0
],
[
0,
0,
-5.8639865
]
] | -16.045924 | -16.045923 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00242572
],
[
0,
0,
0.00773136
],
[
0,
0,
0.00955576
],
[
0,
0,
-0.01971284
]
] | -0 |
[
2.723,
2.767,
15.343,
15.354
] | 0.69457 |
pbe
| true |
f1dfabf9cb50f675467d7adf2ecbca0c_99_Be1Cu2As1
| 99 |
[
"Ag",
"Mn",
"Zr"
] | 4 |
A2BC
|
Ag2MnZr
|
Zr Mn Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.67693384,
0,
0
],
[
2.33846692,
4.05034352,
0
],
[
2.33846692,
1.35011451,
3.81870049
]
] |
agm004274430
|
[
[
0,
0,
0
],
[
7.01540076,
4.0503435225,
2.8640253675
],
[
4.67693384,
2.700229015,
1.909350245
],
[
2.33846692,
1.3501145075,
0.9546751225
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Mn",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.475686,
0,
0
],
[
0,
5.475686,
0
],
[
0,
0,
5.475686
]
] | -22.597161 | -22.597162 |
[
0.052,
0.063,
3.645,
-0.027
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.012257 |
[
9.573,
9.519,
11.467,
9.923
] | 5.385747 |
pbe
| true |
0dc08a478426c03c1beb8a3d7c95de6a_216_Zr1Mn1Ag2
| 216 |
[
"Ag",
"Mn",
"Zr"
] | 4 |
A2BC
|
Ag2MnZr
|
Zr Mn Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.97752746,
0.45203545,
0
],
[
-0.45293116,
2.97739134,
0
],
[
0,
0,
8.02462909
]
] |
agm004274431
|
[
[
0,
0,
0.0898787346744724
],
[
1.2622981500000001,
1.714713395,
2.1262839638200273
],
[
0,
0,
3.9606441990283625
],
[
1.2622981500000001,
1.714713395,
5.8601366572308455
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Mn",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.6634912,
0.07114508,
0
],
[
0.07114508,
5.7077613,
0
],
[
0,
0,
5.591221
]
] | -23.122438 | -23.122438 |
[
-0.002,
0.034,
3.36,
-0.272
] |
[
[
0,
0,
0.0018193
],
[
0,
0,
-0.00029195
],
[
0,
0,
0.00901882
],
[
0,
0,
-0.01054617
]
] | 3.154944 |
[
9.512,
9.523,
11.507,
10.054
] | 1.932709 |
pbe
| true |
43baab2b3601d0ab4e0253b95c220538_99_Zr1Mn1Ag2
| 35 |
[
"Hg",
"Se"
] | 3 |
A2B
|
Hg2Se
|
Hg2 Se
| 2 |
[
1,
1,
1
] | 3 |
[
[
9.7717661,
0.05307925,
1e-8
],
[
8.88163819,
4.07513597,
1e-8
],
[
-9.3267041,
-2.06410804,
2.05967975
]
] |
agm004274432
|
[
[
-2.967315559187112,
-0.6567014263905249,
2.059679756818475
],
[
12.294015749187114,
2.720808606390525,
1.3181525000000001e-8
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}]
|
[
"Hg",
"Hg",
"Se"
] |
2023-11-16 00:00:00
|
[
0.6666666666666666,
0.3333333333333333
] |
[
[
3.17172,
-0.04811961,
-0.00000321
],
[
-0.04811961,
3.3784997,
-7.1e-7
],
[
-0.00000321,
-7.1e-7,
3.3891203
]
] | -3.695826 | -3.695826 |
[
0,
0,
0
] |
[
[
-0.00866589,
-0.00191786,
0
],
[
0.00866589,
0.00191786,
0
],
[
0,
0,
0
]
] | 0 |
[
10.448,
10.448,
3.629
] | 1.635538 |
pbe
| true |
5f0fe0d89dff7a0dff4d8b897f956f13_139_Hg2Se1
| 139 |
[
"Ag",
"Mn",
"Zr"
] | 4 |
A2BC
|
Ag2MnZr
|
Zr Mn Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.97416631,
0,
0
],
[
0,
4.97416631,
0
],
[
0,
0,
3.04785371
]
] |
agm004274434
|
[
[
0,
0,
0
],
[
2.487083155,
2.487083155,
0
],
[
2.487083155,
0,
1.523926855
],
[
0,
2.487083155,
1.523926855
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Mn",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.2784023,
0,
0
],
[
0,
5.2784023,
0
],
[
0,
0,
5.4150825
]
] | -22.425478 | -22.425478 |
[
0,
0,
3.963,
-0.08
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.017682 |
[
9.572,
9.572,
11.306,
9.939
] | 2.838047 |
pbe
| true |
03ee22036cdfe3f82a019d2ca091447d_123_Zr1Mn1Ag2
| 123 |
[
"Ag",
"Mn",
"Zr"
] | 4 |
A2BC
|
Ag2MnZr
|
Zr Mn Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.09966006,
0.00695388,
-1e-8
],
[
1.70488097,
4.80624198,
-1e-8
],
[
-3.40226795,
-2.40659612,
2.93929393
]
] |
agm004274435
|
[
[
0,
0,
0
],
[
0.8524417675,
2.403121895,
1.469646955
],
[
3.4022705149999997,
2.40659793,
-1e-8
],
[
2.5498313124999994,
0.003477844999999924,
1.469646955
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Mn",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.821988,
0.05353967,
0.000005
],
[
0.05353967,
5.784169,
0.00000353
],
[
0.000005,
0.00000353,
5.746315
]
] | -22.723938 | -22.723938 |
[
-0.017,
-0.024,
3.378,
-0.414
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.914573 |
[
9.56,
9.562,
11.464,
9.918
] | 4.093122 |
pbe
| true |
e9d204d5584e7065119e5f8320abeb37_119_Zr1Mn1Ag2
| 119 |
[
"Rh",
"Tl",
"Zn"
] | 4 |
A2BC
|
Rh2TlZn
|
Tl Zn Rh2
| 3 |
[
1,
1,
1
] | 3 |
[
[
8.34208286,
-0.01053782,
-0.00622477
],
[
7.77877858,
3.01347992,
-0.00622477
],
[
7.77877858,
1.4490058,
2.64224945
]
] |
agm004274437
|
[
[
0.1421698766157724,
0.026482946316898,
0.0156436803406242
],
[
11.807650133384227,
2.199491003683102,
1.2992562746593757
],
[
5.974910005,
1.1129869749999999,
0.6574499775
],
[
17.924730015,
3.338960925,
1.9723499325
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Rh",
"Rh",
"Tl",
"Zn"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
10.66277,
-0.05139886,
-0.0303617
],
[
-0.05139886,
10.929123,
-0.00565568
],
[
-0.0303617,
-0.00565568,
10.935357
]
] | -18.124889 | -18.12489 |
[
0,
0,
0,
0
] |
[
[
0.00033249,
0.00006193,
0.00003659
],
[
-0.00033249,
-0.00006193,
-0.00003659
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
13.314,
13.314,
11.39,
10.813
] | 2.602095 |
pbe
| true |
4af0e099dccccfa928dafe52d697a147_166_Tl1Zn1Rh2
| 166 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
AsBeCu2
|
Be Cu2 As
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.40099164,
-0.05275431,
0
],
[
-1.60645475,
4.09765952,
0
],
[
0,
0,
2.86019784
]
] |
agm004274438
|
[
[
-0.803227375,
2.04882976,
1.43009892
],
[
2.20049582,
-0.026377155,
1.43009892
],
[
0,
0,
0
],
[
1.397268445,
2.022452605,
0
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"As",
"Cu",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
-5.7866316,
0.1469421,
0
],
[
0.1469421,
-5.675462,
0
],
[
0,
0,
-5.926241
]
] | -15.729257 | -15.729258 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
2.688,
2.754,
15.352,
15.352
] | 1.100984 |
pbe
| true |
a5c8e20cf84bbe6c2ec8deb034a6d51f_65_Be1Cu2As1
| 65 |
[
"Hg",
"Se"
] | 4 |
AB
|
HgSe
|
Hg2 Se2
| 2 |
[
1,
1,
1
] | 3 |
[
[
4.01595522,
0,
0
],
[
-2.00797761,
3.47791924,
0
],
[
0,
0,
7.11045105
]
] |
agm004274439
|
[
[
-2.0079776109704044e-8,
2.318612838259731,
1.7776127625
],
[
2.0079776300797763,
1.159306401740269,
5.3328382874999996
],
[
0,
0,
0
],
[
0,
0,
3.555225525
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}]
|
[
"Hg",
"Hg",
"Se",
"Se"
] |
2023-11-16 00:00:00
|
[
0.5,
0.5
] |
[
[
2.9876869,
0,
0
],
[
0,
2.9876869,
0
],
[
0,
0,
2.5751214
]
] | -7.376532 | -7.376533 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
10.368,
10.368,
3.724,
3.724
] | 2.386713 |
pbe
| true |
f7017c5a44306d6d8f0e8dbff98b12b4_194_Hg2Se2
| 194 |
[
"Ag",
"Mn",
"Pb"
] | 4 |
A2BC
|
AgMn2Pb
|
Mn2 Ag Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.94137961,
-0.00046807,
-0.01981179
],
[
3.92544046,
3.00135801,
-0.01981179
],
[
1.05665915,
0.35761612,
5.20735139
]
] |
agm004274440
|
[
[
7.442609415000001,
2.5188795450000003,
3.8757958575000004
],
[
1.069827261206734,
0.3620727406042656,
5.078712624379686
],
[
4.948571498793266,
1.6747964093957344,
2.712502670620314
],
[
2.4808698049999998,
0.839626515,
1.2919319525000001
]
] |
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Mn",
"Mn",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
5.7866673,
0.10177928,
0.07139718
],
[
0.10177928,
5.520383,
0.02416369
],
[
0.07139757,
0.02416382,
5.671976
]
] | -23.022449 | -23.02245 |
[
0.008,
3.756,
3.756,
-0.065
] |
[
[
0,
0,
0
],
[
0.00364419,
0.00123334,
-0.00284577
],
[
-0.00364419,
-0.00123334,
0.00284577
],
[
0,
0,
0
]
] | 7.738997 |
[
9.54,
11.389,
11.389,
12.087
] | 3.050228 |
pbe
| true |
8f6403cda3eedd5844fcd5914bf5df8e_12_Mn2Ag1Pb1
| 12 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
Ag2ReTa
|
Ta Re Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.73347692,
0,
0
],
[
0,
4.53981169,
0
],
[
0,
0,
5.39503598
]
] |
agm004274441
|
[
[
1.36673846,
2.269905845,
1.348758995
],
[
0,
0,
0.013993644324924
],
[
0,
0,
2.6835243456750764
],
[
1.36673846,
2.269905845,
4.046276985
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.7865562,
0,
0
],
[
0,
7.43875,
0
],
[
0,
0,
7.876059
]
] | -28.000074 | -28.000074 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0.00369059
],
[
0,
0,
-0.00369059
],
[
0,
0,
0
]
] | 0.000011 |
[
11.157,
9.607,
9.607,
8.84
] | 3.182197 |
pbe
| true |
81696208e0fc90cd7c7e1463c17df158_47_Ta1Re1Ag2
| 47 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
Ag2ReTa
|
Ta Re Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.26874863,
0.01145034,
0
],
[
-2.49722447,
4.6393656,
0
],
[
0,
0,
2.73867729
]
] |
agm004274442
|
[
[
2.634374315,
0.00572517,
1.369338645
],
[
0,
0,
0
],
[
1.3857620800000001,
2.3254079699999997,
0
],
[
-1.248612235,
2.3196828,
1.369338645
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.410552,
0.24210799,
0
],
[
0.24210799,
7.6725492,
0
],
[
0,
0,
7.3874536
]
] | -27.955834 | -27.955833 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000066 |
[
11.138,
9.606,
9.606,
8.844
] | 2.246605 |
pbe
| true |
81696208e0fc90cd7c7e1463c17df158_65_Ta1Re1Ag2
| 65 |
[
"Ag",
"Re",
"Ta"
] | 4 |
A2BC
|
Ag2ReTa
|
Ta Re Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.32064528,
-0.00751509,
0
],
[
2.58129112,
4.65255401,
0
],
[
-3.95096919,
-2.32252004,
2.7027885
]
] |
agm004274444
|
[
[
1.2906450649999999,
2.3262767150000006,
1.35139425
],
[
0,
0,
0
],
[
3.9509682,
2.32251946,
0
],
[
2.6603221449999994,
-0.0037578350000000427,
1.35139425
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Re",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.518264,
-0.02181042,
-0.00000277
],
[
-0.02181042,
7.542546,
-0.00000163
],
[
-0.00000277,
-0.00000163,
7.5553555
]
] | -28.320359 | -28.320358 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000028 |
[
11.256,
9.605,
9.605,
8.776
] | 1.843212 |
pbe
| true |
6bb0c62eb09fe94d694baf1692b7a6ab_139_Ta1Re1Ag2
| 139 |
[
"As",
"Be",
"Cu"
] | 4 |
A2BC
|
AsBeCu2
|
Be Cu2 As
| 3 |
[
1,
1,
1
] | 3 |
[
[
7.94003844,
-0.05073182,
-0.02986403
],
[
7.46971065,
2.69262083,
-0.02986403
],
[
7.46971065,
1.28062737,
2.36877444
]
] |
agm004274445
|
[
[
17.159594805,
2.941887285,
1.731784785
],
[
5.719864935,
0.980629095,
0.5772615950000001
],
[
0.2130963136885938,
0.0365338076361906,
0.0215061578072906
],
[
11.226633556311405,
1.9247243823638094,
1.1330170321927096
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Be",
"As",
"Cu",
"Cu"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
-6.1010556,
0.05008863,
0.0294854
],
[
0.05008863,
-6.384628,
0.00505506
],
[
0.0294854,
0.00505506,
-6.3902392
]
] | -15.547484 | -15.547483 |
[
0.001,
0.101,
0.015,
0.015
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01661522,
-0.00284856,
-0.00167684
],
[
0.01661522,
0.00284856,
0.00167684
]
] | 0.209289 |
[
2.743,
2.746,
15.324,
15.324
] | 3.300106 |
pbe
| true |
65a24cdc4fd64927ccf1b4729862b311_166_Be1Cu2As1
| 166 |
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