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2025-04-16 00:00:00
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2
|
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81036773,
0,
0
],
[
0,
2.7160617,
0.20792223
],
[
0,
2.29785081,
5.65708492
]
] |
agm004130144
|
[
[
1.905183865,
3.753697337203123,
4.482867310490475
],
[
0,
2.3080442777532353,
5.524336145904587
],
[
1.905183865,
1.2512688605721625,
1.4868006373981475
],
[
0,
2.5057090493323546,
2.9605914925567185
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
0.20210333,
0,
0
],
[
0,
0.3067578,
-0.13750007
],
[
0,
-0.13749998,
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]
] | -37.391316 | -37.391316 |
[
[
0,
0.0042986,
-0.00615272
],
[
0,
-0.0010274,
-0.00123442
],
[
0,
-0.00156706,
0.00596403
],
[
0,
-0.00170413,
0.00142311
]
] |
pbe
| true | 6 |
agm004130144-pbe-58
| 58 | 1 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81085479,
0,
0
],
[
0,
2.71640719,
0.20804883
],
[
0,
2.29845104,
5.65650693
]
] |
agm004130144
|
[
[
1.905427395,
3.7544875585909985,
4.4824347734713035
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[
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2.308567615950959,
5.523950214509984
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1.251464943636167,
1.4870480349272552
],
[
0,
2.5062182166732923,
2.9599074884458987
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.22917386,
0,
0
],
[
0,
-0.41201552,
-0.32132638
],
[
0,
-0.32132652,
-0.32224236
]
] | -37.391316 | -37.391316 |
[
[
0,
0.00362813,
-0.00275172
],
[
0,
-0.00020183,
-0.00262724
],
[
0,
-0.00125903,
0.00230994
],
[
0,
-0.00216727,
0.00306901
]
] |
pbe
| true | 6 |
agm004130144-pbe-59
| 59 | 1 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.9011317,
0,
0
],
[
0,
2.7422447,
0.06556962
],
[
0,
2.04488336,
5.39059362
]
] |
agm004130144
|
[
[
1.95056585,
3.483418186850332,
4.216024843502375
],
[
0,
4.63601086569367,
5.33364330358573
],
[
1.95056585,
1.211704791838827,
1.3937702924119393
],
[
0,
2.6366862781947242,
2.69696965984426
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
24.62233613,
0,
0
],
[
0,
-30.12056116,
23.3726601
],
[
0,
23.37265996,
11.96563618
]
] | -37.123787 | -37.123787 |
[
[
0,
-0.04034853,
-0.40695195
],
[
0,
0.51611512,
-0.0550683
],
[
0,
-0.05922707,
0.08469071
],
[
0,
-0.41653952,
0.37732954
]
] |
pbe
| true | 6 |
agm004130144-pbe-6
| 6 | 0 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81085479,
0,
0
],
[
0,
2.71640719,
0.20804883
],
[
0,
2.29845104,
5.65650693
]
] |
agm004130144
|
[
[
1.905427395,
3.7544875585909985,
4.4824347734713035
],
[
0,
2.308567615950959,
5.523950214509984
],
[
1.905427395,
1.251464943636167,
1.4870480349272552
],
[
0,
2.5062182166732923,
2.9599074884458987
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
2.01554012,
-0.02410415,
0.01485626
],
[
-0.02410418,
1.80668085,
-0.29145273
],
[
0.01485663,
-0.29145274,
1.70086066
]
] | -37.391634 | -37.391634 |
[
[
-0.00032714,
0.00066858,
0.04879644
],
[
-0.00019788,
0.00481059,
-0.08002545
],
[
-0.00011947,
0.00418625,
-0.07035472
],
[
0.00064448,
-0.00966542,
0.10158373
]
] |
pbe
| true | 6 |
agm004130144-pbe-60
| 60 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81413505,
-0.00003923,
0.00002418
],
[
-0.00002664,
2.7184772,
0.20786184
],
[
0.00001223,
2.2995204,
5.66032962
]
] |
agm004130144
|
[
[
1.9070415431511518,
3.75683885411666,
4.487591231145192
],
[
0.0000017226378478999996,
2.3098940200388474,
5.523811881787602
],
[
1.9070582953571074,
1.2524283846479454,
1.4845879320844633
],
[
0.0000241419951216,
2.5073162882009514,
2.966649888379687
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-8.12468514,
0.03857918,
-0.0298591
],
[
0.0385789,
-7.51284475,
-0.11083458
],
[
-0.02985873,
-0.11083444,
-5.54201983
]
] | -37.390981 | -37.390981 |
[
[
0.00008489,
0.00346138,
-0.02077863
],
[
-0.00000326,
-0.00318312,
0.04177478
],
[
0.00014114,
-0.00386509,
0.04256195
],
[
-0.00022278,
0.00358683,
-0.0635581
]
] |
pbe
| true | 1 |
agm004130144-pbe-61
| 61 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81253227,
-0.00002006,
0.00001236
],
[
-0.00001362,
2.71746576,
0.20795321
],
[
0.00000625,
2.2989979,
5.6584618
]
] |
agm004130144
|
[
[
1.9062528362682543,
3.7556899221857725,
4.485072125253307
],
[
8.416516215000007e-7,
2.309246088092751,
5.523878822578673
],
[
1.906261392197675,
1.2519577727666815,
1.4857893462127292
],
[
0.0000123567570644,
2.506779523965017,
2.9633563243705505
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-4.08104811,
0.01803542,
-0.01664192
],
[
0.01803529,
-3.83837938,
-0.21902755
],
[
-0.01664226,
-0.2190279,
-2.91997434
]
] | -37.391456 | -37.391456 |
[
[
0.00013006,
0.00255708,
-0.01454337
],
[
0.00001436,
-0.00188912,
0.0253003
],
[
0.00010784,
-0.00272954,
0.02704536
],
[
-0.00025225,
0.00206159,
-0.0378023
]
] |
pbe
| true | 6 |
agm004130144-pbe-62
| 62 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81194478,
-0.00001304,
0.00000803
],
[
-0.00000885,
2.71709503,
0.2079867
],
[
0.00000406,
2.29880638,
5.65777717
]
] |
agm004130144
|
[
[
1.9059637384306878,
3.7552687642088376,
4.484148814044291
],
[
5.410822623e-7,
2.309008600715919,
5.523903231973074
],
[
1.9059692975492968,
1.2517852888418648,
1.4862296505582915
],
[
0.000008039818265,
2.506582778245445,
2.962149251846491
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-2.77294504,
0.01135669,
-0.01099333
],
[
0.01135712,
-2.67568453,
-0.25249101
],
[
-0.01099312,
-0.25249182,
-2.07697816
]
] | -37.39156 | -37.39156 |
[
[
0.00008136,
0.00277615,
-0.0085258
],
[
0.00001144,
-0.00126733,
0.01478244
],
[
0.00007296,
-0.00223278,
0.01864207
],
[
-0.00016576,
0.00072395,
-0.02489871
]
] |
pbe
| true | 6 |
agm004130144-pbe-63
| 63 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81139978,
-0.00000652,
0.00000402
],
[
-0.00000443,
2.71675111,
0.20801776
],
[
0.00000203,
2.29862871,
5.65714205
]
] |
agm004130144
|
[
[
1.9056955605164019,
3.754878082072448,
4.483292341720996
],
[
2.713893967e-7,
2.3087883283492796,
5.52392583307015
],
[
1.905698324277845,
1.2516253029748097,
1.4866380513958013
],
[
0.0000040538163363999995,
2.5064001836171768,
2.961029502241632
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-1.44382384,
0.00545133,
-0.0055358
],
[
0.00545101,
-1.49157151,
-0.28090274
],
[
-0.00553564,
-0.28090287,
-1.17919283
]
] | -37.391618 | -37.391618 |
[
[
0.00004397,
0.00291405,
-0.0070217
],
[
0.00000544,
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0.0061876
],
[
0.00003863,
-0.0016893,
0.01135052
],
[
-0.00008804,
-0.00058963,
-0.01051643
]
] |
pbe
| true | 6 |
agm004130144-pbe-64
| 64 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81112728,
-0.00000326,
0.00000201
],
[
-0.00000221,
2.71657915,
0.2080333
],
[
0.00000102,
2.29853988,
5.65682449
]
] |
agm004130144
|
[
[
1.9055615018067098,
3.754682741376368,
4.482864118465576
],
[
1.4093735919999993e-7,
2.3086781950214528,
5.523937101423871
],
[
1.9055628598361412,
1.2515453190980086,
1.4868422547120501
],
[
0.0000020505310627,
2.5063089095041367,
2.9604697103985216
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.77130936,
0.00264058,
-0.00278123
],
[
0.00264071,
-0.89615435,
-0.29526341
],
[
-0.00278113,
-0.29526325,
-0.71012
]
] | -37.391633 | -37.391633 |
[
[
0.00004104,
0.0029758,
-0.0066851
],
[
3.6e-7,
-0.00028677,
0.00161809
],
[
0.00001822,
-0.00136176,
0.0072541
],
[
-0.00005962,
-0.00132727,
-0.00218708
]
] |
pbe
| true | 6 |
agm004130144-pbe-65
| 65 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81099103,
-0.00000163,
0.000001
],
[
-0.00000111,
2.71649317,
0.20804106
],
[
5.1e-7,
2.29849546,
5.65666571
]
] |
agm004130144
|
[
[
1.9054944422288795,
3.754585056411868,
4.482649950294394
],
[
5.135273199999995e-8,
2.308623113310681,
5.523942719654837
],
[
1.9054951046830026,
1.2515053058984291,
1.4869442819536827
],
[
0.0000010417353755,
2.506263253409112,
2.9601897999637727
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.48119657,
0.00125542,
-0.00132048
],
[
0.00125499,
-0.64537394,
-0.30136158
],
[
-0.00132037,
-0.30136153,
-0.52921103
]
] | -37.391637 | -37.391637 |
[
[
0.00002064,
0.00303504,
-0.00558263
],
[
2.6e-7,
-0.0001041,
-0.0011139
],
[
0.00001106,
-0.00121142,
0.00499252
],
[
-0.00003196,
-0.00171952,
0.00170402
]
] |
pbe
| true | 6 |
agm004130144-pbe-66
| 66 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81092291,
-8.1e-7,
5e-7
],
[
-5.5e-7,
2.71645018,
0.20804495
],
[
2.5e-7,
2.29847325,
5.65658632
]
] |
agm004130144
|
[
[
1.9054608994045936,
3.7545362139931147,
4.482542905504495
],
[
1.880471400000009e-9,
2.3085955848013193,
5.523945553631104
],
[
1.9054612307599745,
1.251485300457202,
1.4869953245552845
],
[
5.398457263e-7,
2.506240439778906,
2.9600498281773855
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.34562399,
0.00056215,
-0.00058126
],
[
0.00056236,
-0.5319082,
-0.30464558
],
[
-0.0005814,
-0.30464523,
-0.44719017
]
] | -37.391638 | -37.391638 |
[
[
0.00000816,
0.00297435,
-0.00523774
],
[
0.00000235,
-0.00002541,
-0.00183134
],
[
0.00000485,
-0.00106433,
0.00342823
],
[
-0.00001536,
-0.0018846,
0.00364085
]
] |
pbe
| true | 6 |
agm004130144-pbe-67
| 67 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81088885,
-4.1e-7,
2.5e-7
],
[
-2.8e-7,
2.71642868,
0.20804689
],
[
1.3e-7,
2.29846215,
5.65654663
]
] |
agm004130144
|
[
[
1.9054441664113773,
3.754511812926272,
4.482489413138941
],
[
5.7008627e-9,
2.308581839098846,
5.523946975499455
],
[
1.9054443129227716,
1.2514753431122663,
1.4870209037358926
],
[
3.080738745e-7,
2.506229017026899,
2.9599798697061823
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.18667061,
0.00177722,
-0.00132081
],
[
0.00177702,
-0.35727049,
-0.29255095
],
[
-0.00132097,
-0.29255091,
-0.27252465
]
] | -37.391639 | -37.391639 |
[
[
0.00001967,
0.00313962,
-0.00747233
],
[
0.00000373,
-0.00007098,
-0.00104829
],
[
0.00000876,
-0.0012603,
0.00553797
],
[
-0.00003216,
-0.00180835,
0.00298265
]
] |
pbe
| true | 6 |
agm004130144-pbe-68
| 68 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81087182,
-2e-7,
1.3e-7
],
[
-1.4e-7,
2.71641794,
0.20804786
],
[
6e-8,
2.29845659,
5.65652678
]
] |
agm004130144
|
[
[
1.9054357768785,
3.7544995919873974,
4.482462636443928
],
[
-2.108127280000001e-8,
2.3085749181309145,
5.523947650963054
],
[
1.905435852692987,
1.2514703443328021,
1.4870336650324432
],
[
1.51509785e-7,
2.506223307564319,
2.959944860995308
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.53378521,
-0.00015045,
-0.00003306
],
[
-0.0001502,
-0.74398105,
-0.31081514
],
[
-0.00003311,
-0.31081504,
-0.68293138
]
] | -37.391639 | -37.391639 |
[
[
-0.00003153,
0.00312061,
0.00144231
],
[
-0.00000581,
0.00001149,
-0.00489794
],
[
4.8e-7,
-0.0009223,
-0.00103686
],
[
0.00003686,
-0.0022098,
0.00449249
]
] |
pbe
| true | 6 |
agm004130144-pbe-69
| 69 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.78157987,
0,
0
],
[
0,
2.77250816,
0.13619671
],
[
0,
2.20264897,
5.54272667
]
] |
agm004130144
|
[
[
1.890789935,
3.753736414614295,
4.410442802907031
],
[
0,
4.830711663367862,
5.573840948950893
],
[
1.890789935,
1.1984242147848916,
1.4226265978674753
],
[
0,
2.6550205102064615,
2.7903980448473353
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
87.70751887,
0,
0
],
[
0,
-41.86377144,
20.60529376
],
[
0,
20.60529377,
24.05765521
]
] | -37.077414 | -37.077414 |
[
[
0,
-0.54858103,
-0.97400267
],
[
0,
1.02442227,
-0.32032404
],
[
0,
0.2210437,
0.39102724
],
[
0,
-0.69688495,
0.90329947
]
] |
pbe
| true | 6 |
agm004130144-pbe-7
| 7 | 0 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81023212,
-0.00000107,
5e-7
],
[
-7.4e-7,
2.7157399,
0.20770721
],
[
9e-8,
2.29728846,
5.65502633
]
] |
agm004130144
|
[
[
1.905114023143525,
3.753228141666544,
4.481160187772479
],
[
-3.8744437629999993e-7,
2.307423205905891,
5.522220105685988
],
[
1.9051157865539456,
1.250974444106311,
1.4864709570143302
],
[
0.0000018508492257,
2.5052041153483584,
2.959275832976945
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
1.2151572,
0.00094032,
-0.00114757
],
[
0.00094085,
1.32950915,
-0.03075071
],
[
-0.00114785,
-0.03075071,
1.32865647
]
] | -37.391633 | -37.391633 |
[
[
-0.00001069,
0.00415225,
-0.00440658
],
[
0.00000187,
-0.00059854,
-0.00165614
],
[
0.00001525,
-0.00113886,
0.00058993
],
[
-0.00000643,
-0.00241485,
0.00547279
]
] |
pbe
| true | 6 |
agm004130144-pbe-70
| 70 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.810642,
-5.2e-7,
2.6e-7
],
[
-3.5e-7,
2.71617435,
0.20792548
],
[
7e-8,
2.29803694,
5.65598774
]
] |
agm004130144
|
[
[
1.9053201867995289,
3.75404280181228,
4.48199472983847
],
[
-1.6885785219999997e-7,
2.3081611825270105,
5.523327084941467
],
[
1.9053208554831678,
1.251292175588701,
1.4868315014005913
],
[
7.765751592e-7,
2.505857167910264,
2.959704511740215
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
0.25964624,
0.0004861,
-0.00056335
],
[
0.00048556,
0.15765435,
-0.21915925
],
[
-0.00056337,
-0.21915968,
0.2054038
]
] | -37.391642 | -37.391642 |
[
[
0.00001308,
0.00218439,
-0.00809765
],
[
0.0000018,
0.00002588,
0.00040797
],
[
0.00000505,
-0.00075256,
0.0042366
],
[
-0.00001993,
-0.0014577,
0.00345307
]
] |
pbe
| true | 6 |
agm004130144-pbe-71
| 71 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81066958,
-4.8e-7,
2.4e-7
],
[
-3.3e-7,
2.71620358,
0.20794016
],
[
7e-8,
2.29808729,
5.65605242
]
] |
agm004130144
|
[
[
1.9053340676990709,
3.754097605581072,
4.482050829220635
],
[
-1.302655216e-7,
2.3082108291313337,
5.523401547781178
],
[
1.9053346504011406,
1.2513135621833738,
1.4868557367827804
],
[
7.102720052e-7,
2.5059010951233427,
2.959733359654884
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
0.22998904,
0.00038892,
-0.00050784
],
[
0.00038881,
0.10583247,
-0.25842429
],
[
-0.00050749,
-0.25842418,
0.15030081
]
] | -37.391642 | -37.391642 |
[
[
-0.00002257,
0.00528742,
-0.00278387
],
[
9e-8,
-0.00053708,
-0.00404581
],
[
0.00001155,
-0.00179209,
0.00121159
],
[
0.00001093,
-0.00295825,
0.00561809
]
] |
pbe
| true | 6 |
agm004130144-pbe-72
| 72 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81065954,
-4.9e-7,
2.5e-7
],
[
-3.4e-7,
2.71619293,
0.20793482
],
[
7e-8,
2.29806896,
5.65602886
]
] |
agm004130144
|
[
[
1.9053290022486609,
3.7540776531839954,
4.482030394296355
],
[
-1.305085571e-7,
2.308192751293896,
5.523374381195315
],
[
1.905329627942094,
1.2513057734455488,
1.4868469293381323
],
[
7.053178011000001e-7,
2.505885081115181,
2.9597228120496215
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
0.29587921,
0.00060937,
-0.00061106
],
[
0.00060945,
0.23781353,
-0.16676785
],
[
-0.00061131,
-0.16676763,
0.26345102
]
] | -37.391642 | -37.391642 |
[
[
0.00003026,
0.00145049,
-0.00534251
],
[
-0.00000471,
0.00003369,
0.00134739
],
[
0.00000607,
-0.00075005,
0.00321843
],
[
-0.00003162,
-0.00073413,
0.00077669
]
] |
pbe
| true | 6 |
agm004130144-pbe-73
| 73 | 2 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.88031547,
0,
0
],
[
0,
2.74751414,
0.07786712
],
[
0,
2.07235333,
5.41708285
]
] |
agm004130144
|
[
[
1.940157735,
3.531720571837443,
4.2522713587187075
],
[
0,
4.670365990630042,
5.375920481416714
],
[
1.940157735,
1.2085632123017571,
1.397478529315942
],
[
0,
2.639018900230756,
2.7117045555486365
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
32.76809155,
0,
0
],
[
0,
-33.86242079,
25.29347154
],
[
0,
25.29347184,
14.84819242
]
] | -37.124793 | -37.124793 |
[
[
0,
-0.12498893,
-0.54168213
],
[
0,
0.61561084,
-0.10304089
],
[
0,
-0.02979067,
0.15516202
],
[
0,
-0.46083124,
0.48956101
]
] |
pbe
| true | 6 |
agm004130144-pbe-8
| 8 | 0 |
[
"Fe",
"Ir",
"Mo"
] | 4 |
A2BC
|
FeIrMo
|
Fe Mo Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.8737958,
0,
0
],
[
0,
2.74916454,
0.08171872
],
[
0,
2.08095696,
5.42537932
]
] |
agm004130144
|
[
[
1.9368979,
3.546386284460529,
4.262726379858236
],
[
0,
4.680955907915655,
5.388991527332773
],
[
1.9368979,
1.2078899333311435,
1.3991331746834776
],
[
0,
2.6400715759914597,
2.716893963054533
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Ir",
"Ir",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
35.57167823,
0,
0
],
[
0,
-34.841366,
25.57446039
],
[
0,
25.57446022,
15.53774774
]
] | -37.124932 | -37.124932 |
[
[
0,
-0.14030227,
-0.57346154
],
[
0,
0.64393762,
-0.11589252
],
[
0,
-0.02142191,
0.17167535
],
[
0,
-0.48221344,
0.5176787
]
] |
pbe
| true | 6 |
agm004130144-pbe-9
| 9 | 0 |
[
"Fe",
"Mg",
"Mo"
] | 4 |
A2BC
|
FeMgMo
|
Mg2 Fe Mo
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.992482,
0,
0
],
[
4.25704606,
2.60814787,
0
],
[
0.86347324,
0.24347901,
4.92341163
]
] |
agm004130168
|
[
[
2.5282503249999997,
0.71290672,
1.2308529075
],
[
9.172143454471614,
2.586327243843955,
0.018478893168530103
],
[
5.133885255528387,
1.4476340661560447,
2.4432269218314704
],
[
7.584750975,
2.13872016,
3.6925587225000003
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Mg",
"Mg",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
6.15951836,
-0.15628079,
1.29988825
],
[
-0.15628079,
6.66968462,
0.3665377
],
[
1.29988799,
0.36653763,
6.8701041
]
] | -20.825157 | -20.825157 |
[
[
0,
0,
0
],
[
0.01962491,
0.00553376,
0.01351926
],
[
-0.01962491,
-0.00553376,
-0.01351926
],
[
0,
0,
0
]
] |
pbe
| true | 12 |
agm004130168-pbe-0
| 0 | 0 |
[
"Fe",
"Mg",
"Mo"
] | 4 |
A2BC
|
FeMgMo
|
Mg2 Fe Mo
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.00732217,
-0.00037653,
0.00313183
],
[
4.26950344,
2.61622166,
0.00313183
],
[
0.86911005,
0.24506845,
4.94031954
]
] |
agm004130168
|
[
[
2.536483915,
0.715228395,
1.2366458
],
[
9.20017416865939,
2.594231238779029,
0.0254064224083644
],
[
5.149619271340612,
1.4520706812209705,
2.454148837591635
],
[
7.609451745,
2.145685185,
3.7099374
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Mg",
"Mg",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-2.20666275,
0.44153752,
0.51732679
],
[
0.44153752,
-3.64802702,
0.1458739
],
[
0.51732641,
0.1458738,
-3.06696539
]
] | -20.825855 | -20.825855 |
[
[
0,
0,
0
],
[
0.01065914,
0.00300563,
-0.00915081
],
[
-0.01065914,
-0.00300563,
0.00915081
],
[
0,
0,
0
]
] |
pbe
| true | 12 |
agm004130168-pbe-1
| 1 | 0 |
[
"Fe",
"Mg",
"Mo"
] | 4 |
A2BC
|
FeMgMo
|
Mg2 Fe Mo
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.00259334,
-0.00025655,
0.00213387
],
[
4.26553389,
2.61364894,
0.00213387
],
[
0.86731388,
0.24456197,
4.93493182
]
] |
agm004130168
|
[
[
2.5338602775,
0.71448859,
1.2347998900000001
],
[
9.191242511419874,
2.5917127201365413,
0.023199248215830203
],
[
5.144605273580124,
1.4506568498634584,
2.4506682717841697
],
[
7.6015808325,
2.14346577,
3.7043996700000004
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Mg",
"Mg",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
0.41400181,
0.24958191,
0.77270593
],
[
0.24958191,
-0.40073857,
0.21788477
],
[
0.77270601,
0.2178848,
0.07197777
]
] | -20.826021 | -20.826021 |
[
[
0,
0,
0
],
[
0.01543864,
0.00435333,
-0.00072708
],
[
-0.01543864,
-0.00435333,
0.00072708
],
[
0,
0,
0
]
] |
pbe
| true | 12 |
agm004130168-pbe-2
| 2 | 0 |
[
"Fe",
"Mg",
"Mo"
] | 4 |
A2BC
|
FeMgMo
|
Mg2 Fe Mo
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.00290435,
-0.00026444,
0.0021995
],
[
4.26579497,
2.61381815,
0.0021995
],
[
0.86743201,
0.24459529,
4.93528617
]
] |
agm004130168
|
[
[
2.5340328325,
0.71453725,
1.2349212925000002
],
[
9.19182993180815,
2.591878362945891,
0.023344413152601603
],
[
5.144935053191849,
1.4507498470541091,
2.450897171847399
],
[
7.6020984975,
2.1436117500000003,
3.7047638775
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Mg",
"Mg",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
0.21937212,
0.26181887,
0.7791355
],
[
0.26181887,
-0.63531482,
0.21969776
],
[
0.77913445,
0.21969746,
-0.12641746
]
] | -20.826021 | -20.826021 |
[
[
0,
0,
0
],
[
0.01335497,
0.00376578,
-0.00142471
],
[
-0.01335497,
-0.00376578,
0.00142471
],
[
0,
0,
0
]
] |
pbe
| true | 12 |
agm004130168-pbe-3
| 3 | 0 |
[
"Fe",
"Mg",
"Mo"
] | 4 |
A2BC
|
FeMgMo
|
Mg2 Fe Mo
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.00374072,
0.00032583,
0.00405097
],
[
4.2668165,
2.61375176,
0.00405097
],
[
0.86943216,
0.24515928,
4.93571532
]
] |
agm004130168
|
[
[
2.5349973450000003,
0.7148092175,
1.235954315
],
[
9.194306734278829,
2.5925767587996393,
0.0269672217904508
],
[
5.146245175721169,
1.4511192662003607,
2.4530433482095493
],
[
7.6049920349999995,
2.1444276525,
3.707862945
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Mg",
"Mg",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.02225033,
0.05686291,
0.31594098
],
[
0.05686291,
-0.2078748,
0.08908787
],
[
0.31594124,
0.08908795,
-0.40662252
]
] | -20.826059 | -20.826059 |
[
[
0,
0,
0
],
[
0.008222,
0.00231841,
-0.00182658
],
[
-0.008222,
-0.00231841,
0.00182658
],
[
0,
0,
0
]
] |
pbe
| true | 12 |
agm004130168-pbe-4
| 4 | 0 |
[
"Fe",
"Mg",
"Mo"
] | 4 |
A2BC
|
FeMgMo
|
Mg2 Fe Mo
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.00464289,
0.00096253,
0.00604807
],
[
4.26791839,
2.61368016,
0.00604807
],
[
0.87158965,
0.24576764,
4.93617822
]
] |
agm004130168
|
[
[
2.5360377325000005,
0.7151025824999999,
1.23706859
],
[
9.196978497776556,
2.593330135347608,
0.030875258666922204
],
[
5.147658247223446,
1.4515177196523914,
2.455358061333078
],
[
7.6081131975,
2.1453077475,
3.7112057700000003
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Mg",
"Mg",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.03105056,
-0.1614723,
-0.12811498
],
[
-0.1614723,
0.49606297,
-0.03612539
],
[
-0.12811414,
-0.03612515,
-0.4490363
]
] | -20.826068 | -20.826068 |
[
[
0,
0,
0
],
[
0.00243086,
0.00068544,
-0.00177148
],
[
-0.00243086,
-0.00068544,
0.00177148
],
[
0,
0,
0
]
] |
pbe
| true | 12 |
agm004130168-pbe-5
| 5 | 0 |
[
"Fe",
"Mg",
"Mo"
] | 4 |
A2BC
|
FeMgMo
|
Mg2 Fe Mo
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.00464289,
0.00096253,
0.00604807
],
[
4.26791839,
2.61368016,
0.00604807
],
[
0.87158965,
0.24576764,
4.93617822
]
] |
agm004130168
|
[
[
2.5360377325000005,
0.7151025824999999,
1.23706859
],
[
9.196978497776556,
2.593330135347608,
0.030875258666922204
],
[
5.147658247223446,
1.4515177196523914,
2.455358061333078
],
[
7.6081131975,
2.1453077475,
3.7112057700000003
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Mg",
"Mg",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
0.0252778,
-0.14599567,
-0.11581292
],
[
-0.14599567,
0.5018691,
-0.0326565
],
[
-0.11581168,
-0.03265615,
-0.39879547
]
] | -20.827275 | -20.827275 |
[
[
0,
0,
0
],
[
0.0019631,
0.00055355,
-0.00249302
],
[
-0.0019631,
-0.00055355,
0.00249302
],
[
0,
0,
0
]
] |
pbe
| true | 12 |
agm004130168-pbe-6
| 6 | 1 |
[
"Fe",
"Mg",
"Mo"
] | 4 |
A2BC
|
FeMgMo
|
Mg2 Fe Mo
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.00470393,
0.00060773,
0.00576532
],
[
4.26778509,
2.61401458,
0.00576532
],
[
0.87130522,
0.24568744,
4.93516902
]
] |
agm004130168
|
[
[
2.53594856,
0.7150774375000001,
1.236674915
],
[
9.197000512456551,
2.5933363386216977,
0.0301904865623678
],
[
5.147385627543448,
1.4514408463783026,
2.454689983437632
],
[
7.60784568,
2.1452323125,
3.710024745
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
|
[
"Fe",
"Mg",
"Mg",
"Mo"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.10259725,
-0.04055914,
0.01262114
],
[
-0.04055914,
0.02980484,
0.00355886
],
[
0.01262133,
0.00355891,
-0.32523594
]
] | -20.827281 | -20.827281 |
[
[
0,
0,
0
],
[
0.00214853,
0.00060583,
-0.00182351
],
[
-0.00214853,
-0.00060583,
0.00182351
],
[
0,
0,
0
]
] |
pbe
| true | 12 |
agm004130168-pbe-7
| 7 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.688135,
0,
0
],
[
0,
3.730075,
0
],
[
0,
0,
5.864129
]
] |
agm004130175
|
[
[
1.8440675,
1.8650375,
4.35828875533769
],
[
0,
0,
5.81071575692737
],
[
1.8440675,
1.8650375,
1.6312787725580902
],
[
0,
0,
2.86003915653556
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
2.00368415,
0,
0
],
[
0,
-0.86415775,
0
],
[
0,
0,
0.67689743
]
] | -15.543984 | -15.543984 |
[
[
0,
0,
0.01717994
],
[
0,
0,
-0.00686514
],
[
0,
0,
-0.00803059
],
[
0,
0,
-0.0022842
]
] |
pbe
| true | 25 |
agm004130175-pbe-0
| 0 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.69262271,
0,
0
],
[
0,
3.72811751,
0
],
[
0,
0,
5.86653954
]
] |
agm004130175
|
[
[
1.846311355,
1.864058755,
4.360909414685247
],
[
0,
0,
5.812772998442877
],
[
1.846311355,
1.864058755,
1.6315617324035554
],
[
0,
0,
2.861104587137529
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
0.80158629,
0,
0
],
[
0,
-1.61419213,
0
],
[
0,
0,
-0.88945253
]
] | -15.544108 | -15.544108 |
[
[
0,
0,
0.00245752
],
[
0,
0,
-0.00459602
],
[
0,
0,
0.00574165
],
[
0,
0,
-0.00360314
]
] |
pbe
| true | 25 |
agm004130175-pbe-1
| 1 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.709806,
0,
0
],
[
0,
3.71222367,
0
],
[
0,
0,
5.86225203
]
] |
agm004130175
|
[
[
1.854903,
1.856111835,
4.359411665311473
],
[
0,
0,
5.807263754223477
],
[
1.854903,
1.856111835,
1.630700302284288
],
[
0,
0,
2.8582543531807603
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.13537562,
0,
0
],
[
0,
-0.30499953,
0
],
[
0,
0,
0.04396297
]
] | -15.54465 | -15.54465 |
[
[
0,
0,
-0.00445719
],
[
0,
0,
0.00283964
],
[
0,
0,
0.00020396
],
[
0,
0,
0.00141358
]
] |
pbe
| true | 25 |
agm004130175-pbe-10
| 10 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.69585649,
0,
0
],
[
0,
3.72670697,
0
],
[
0,
0,
5.86827655
]
] |
agm004130175
|
[
[
1.847928245,
1.863353485,
4.362798075411113
],
[
0,
0,
5.814255367343024
],
[
1.847928245,
1.863353485,
1.631765605110618
],
[
0,
0,
2.86187226845248
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.04412418,
0,
0
],
[
0,
-2.11838419,
0
],
[
0,
0,
-1.99413613
]
] | -15.544133 | -15.544133 |
[
[
0,
0,
-0.00575355
],
[
0,
0,
-0.00181578
],
[
0,
0,
0.01296032
],
[
0,
0,
-0.00539099
]
] |
pbe
| true | 25 |
agm004130175-pbe-2
| 2 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.69785028,
0,
0
],
[
0,
3.72437762,
0
],
[
0,
0,
5.86721383
]
] |
agm004130175
|
[
[
1.84892514,
1.86218881,
4.362297127476735
],
[
0,
0,
5.81302700065662
],
[
1.84892514,
1.86218881,
1.6314844152804397
],
[
0,
0,
2.8612259729140663
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.04082047,
0,
0
],
[
0,
-1.7740964,
0
],
[
0,
0,
-1.68121551
]
] | -15.54421 | -15.54421 |
[
[
0,
0,
-0.00577072
],
[
0,
0,
-0.00179866
],
[
0,
0,
0.01395682
],
[
0,
0,
-0.00638744
]
] |
pbe
| true | 25 |
agm004130175-pbe-3
| 3 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.7029334,
0,
0
],
[
0,
3.71843899,
0
],
[
0,
0,
5.86450447
]
] |
agm004130175
|
[
[
1.8514667,
1.859219495,
4.361019758319804
],
[
0,
0,
5.8098954945663435
],
[
1.8514667,
1.859219495,
1.6307674475367187
],
[
0,
0,
2.8595784159320896
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
0.24382129,
0,
0
],
[
0,
-0.71962529,
0
],
[
0,
0,
-0.67132209
]
] | -15.544344 | -15.544344 |
[
[
0,
0,
-0.0074093
],
[
0,
0,
0.00242013
],
[
0,
0,
0.00811488
],
[
0,
0,
-0.00312571
]
] |
pbe
| true | 25 |
agm004130175-pbe-4
| 4 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.71309965,
0,
0
],
[
0,
3.70656171,
0
],
[
0,
0,
5.85908573
]
] |
agm004130175
|
[
[
1.856549825,
1.853280855,
4.358463547962704
],
[
0,
0,
5.803633350562133
],
[
1.856549825,
1.853280855,
1.6293335227185046
],
[
0,
0,
2.856283786574945
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
0.57728225,
0,
0
],
[
0,
1.17523698,
0
],
[
0,
0,
1.1750677
]
] | -15.544337 | -15.544337 |
[
[
0,
0,
-0.01496402
],
[
0,
0,
0.00616662
],
[
0,
0,
0.0045493
],
[
0,
0,
0.0042481
]
] |
pbe
| true | 25 |
agm004130175-pbe-5
| 5 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.70769406,
0,
0
],
[
0,
3.71287709,
0
],
[
0,
0,
5.86196697
]
] |
agm004130175
|
[
[
1.85384703,
1.856438545,
4.359822341105359
],
[
0,
0,
5.806963313245115
],
[
1.85384703,
1.856438545,
1.630095950876609
],
[
0,
0,
2.858035761153247
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
0.39069824,
0,
0
],
[
0,
0.14696895,
0
],
[
0,
0,
0.16600596
]
] | -15.544387 | -15.544387 |
[
[
0,
0,
-0.01184125
],
[
0,
0,
0.00157216
],
[
0,
0,
0.00808579
],
[
0,
0,
0.0021833
]
] |
pbe
| true | 25 |
agm004130175-pbe-6
| 6 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.70864723,
0,
0
],
[
0,
3.71258218,
0
],
[
0,
0,
5.86209563
]
] |
agm004130175
|
[
[
1.854323615,
1.85629109,
4.3596370027736215
],
[
0,
0,
5.807098914323247
],
[
1.854323615,
1.85629109,
1.6303687331795897
],
[
0,
0,
2.8581344247235405
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
0.05329428,
0,
0
],
[
0,
-0.03783794,
0
],
[
0,
0,
0.07796437
]
] | -15.544394 | -15.544394 |
[
[
0,
0,
-0.01276266
],
[
0,
0,
0.0040481
],
[
0,
0,
0.00620816
],
[
0,
0,
0.0025064
]
] |
pbe
| true | 25 |
agm004130175-pbe-7
| 7 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.71014757,
0,
0
],
[
0,
3.71211799,
0
],
[
0,
0,
5.86229813
]
] |
agm004130175
|
[
[
1.855073785,
1.856058995,
4.359345232885232
],
[
0,
0,
5.807312352951778
],
[
1.855073785,
1.856058995,
1.6307980119797705
],
[
0,
0,
2.858289668560239
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.34568751,
0,
0
],
[
0,
-0.2675993,
0
],
[
0,
0,
0.0102017
]
] | -15.544396 | -15.544396 |
[
[
0,
0,
-0.00522047
],
[
0,
0,
0.00309394
],
[
0,
0,
0.00013246
],
[
0,
0,
0.00199408
]
] |
pbe
| true | 25 |
agm004130175-pbe-8
| 8 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.709806,
0,
0
],
[
0,
3.71222367,
0
],
[
0,
0,
5.86225203
]
] |
agm004130175
|
[
[
1.854903,
1.856111835,
4.359411665311473
],
[
0,
0,
5.807263754223477
],
[
1.854903,
1.856111835,
1.630700302284288
],
[
0,
0,
2.8582543531807603
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.15543229,
0,
0
],
[
0,
-0.23370654,
0
],
[
0,
0,
0.03387227
]
] | -15.544397 | -15.544397 |
[
[
0,
0,
-0.00432116
],
[
0,
0,
0.00234537
],
[
0,
0,
0.00071163
],
[
0,
0,
0.00126416
]
] |
pbe
| true | 25 |
agm004130175-pbe-9
| 9 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.06693434,
0.00574053,
0
],
[
-0.00604049,
3.06693377,
0
],
[
0,
0,
9.18517282
]
] |
agm004130179
|
[
[
1.530446925,
1.53633715,
6.529604427549274
],
[
0,
0,
9.15161938368854
],
[
1.530446925,
1.53633715,
2.6940908235543493
],
[
0,
0,
4.587617415207836
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
0.31929163,
0.02759097,
0
],
[
0.02759097,
0.3195036,
0
],
[
0,
0,
-0.01231146
]
] | -15.393077 | -15.393077 |
[
[
0,
0,
0.00338642
],
[
0,
0,
-0.00679821
],
[
0,
0,
-0.00129844
],
[
0,
0,
0.00471023
]
] |
pbe
| true | 35 |
agm004130179-pbe-0
| 0 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.06757131,
0.00579675,
0
],
[
-0.00598671,
3.06757095,
0
],
[
0,
0,
9.18509928
]
] |
agm004130179
|
[
[
1.5307922999999999,
1.53668385,
6.529715460108775
],
[
0,
0,
9.15121811243487
],
[
1.5307922999999999,
1.53668385,
2.6940066112576675
],
[
0,
0,
4.587807924347692
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.13427092,
0.0142552,
0
],
[
0.0142552,
-0.1341614,
0
],
[
0,
0,
-0.32322502
]
] | -15.393081 | -15.393081 |
[
[
0,
0,
0.00436543
],
[
0,
0,
-0.00795817
],
[
0,
0,
0.00073973
],
[
0,
0,
0.00285301
]
] |
pbe
| true | 35 |
agm004130179-pbe-1
| 1 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.06763994,
0.00580281,
0
],
[
-0.00598091,
3.0676396,
0
],
[
0,
0,
9.18509135
]
] |
agm004130179
|
[
[
1.530829515,
1.536721205,
6.529727458022664
],
[
0,
0,
9.151174940935558
],
[
1.530829515,
1.536721205,
2.6939975802573124
],
[
0,
0,
4.587828487635381
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"In",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.19412714,
-0.00150595,
0
],
[
-0.00150595,
-0.19413871,
0
],
[
0,
0,
-0.19722337
]
] | -15.393081 | -15.393081 |
[
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[
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pbe
| true | 35 |
agm004130179-pbe-2
| 2 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
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[
[
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[
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agm004130179
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[
"Cd",
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2024-04-26 00:00:00
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[
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pbe
| true | 35 |
agm004130179-pbe-3
| 3 | 0 |
[
"Cd",
"In",
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A2BC
|
CdInTc
|
Cd In2 Tc
| 3 |
[
1,
1,
1
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[
[
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agm004130179
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[
"Cd",
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2024-04-26 00:00:00
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[
0.25,
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[
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pbe
| true | 35 |
agm004130179-pbe-4
| 4 | 1 |
[
"Os",
"Y"
] | 4 |
AB
|
OsY
|
Y2 Os2
| 2 |
[
1,
1,
1
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[
[
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[
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agm004130182
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[
"Os",
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2024-04-27 00:00:00
|
[
0.5,
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[
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pbe
| true | 74 |
agm004130182-pbe-0
| 0 | 0 |
[
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AB
|
OsY
|
Y2 Os2
| 2 |
[
1,
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1
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[
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agm004130182
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|
[
"Os",
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2024-04-27 00:00:00
|
[
0.5,
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[
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pbe
| true | 74 |
agm004130182-pbe-1
| 1 | 0 |
[
"Os",
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AB
|
OsY
|
Y2 Os2
| 2 |
[
1,
1,
1
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[
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agm004130182
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[
"Os",
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2024-04-27 00:00:00
|
[
0.5,
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[
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pbe
| true | 74 |
agm004130182-pbe-2
| 2 | 0 |
[
"Os",
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AB
|
OsY
|
Y2 Os2
| 2 |
[
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1
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[
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agm004130182
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|
[
"Os",
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2024-04-27 00:00:00
|
[
0.5,
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[
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pbe
| true | 74 |
agm004130182-pbe-3
| 3 | 0 |
[
"Os",
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AB
|
OsY
|
Y2 Os2
| 2 |
[
1,
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1
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[
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agm004130182
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[
"Os",
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2024-04-27 00:00:00
|
[
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[
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pbe
| true | 74 |
agm004130182-pbe-4
| 4 | 0 |
[
"Os",
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AB
|
OsY
|
Y2 Os2
| 2 |
[
1,
1,
1
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[
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agm004130182
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[
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2024-04-27 00:00:00
|
[
0.5,
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[
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pbe
| true | 74 |
agm004130182-pbe-5
| 5 | 0 |
[
"Os",
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AB
|
OsY
|
Y2 Os2
| 2 |
[
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1
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[
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agm004130182
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[
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2024-04-27 00:00:00
|
[
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[
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pbe
| true | 74 |
agm004130182-pbe-6
| 6 | 0 |
[
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AB
|
OsY
|
Y2 Os2
| 2 |
[
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agm004130182
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[
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2024-04-27 00:00:00
|
[
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pbe
| true | 74 |
agm004130182-pbe-7
| 7 | 0 |
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AB
|
OsY
|
Y2 Os2
| 2 |
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agm004130182
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[
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2024-04-27 00:00:00
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[
0.01250733,
-0.02250323,
-0.25478058
]
] | -35.307766 | -35.307766 |
[
[
-0.00298518,
-0.00165918,
0
],
[
0.00298518,
0.00165918,
0
],
[
-0.00079265,
-0.00044056,
0
],
[
0.00079265,
0.00044056,
0
]
] |
pbe
| true | 74 |
agm004130182-pbe-8
| 8 | 1 |
[
"Mg",
"Se",
"Tl"
] | 4 |
A2BC
|
MgSeTl
|
Mg Tl2 Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.365979,
0,
0
],
[
2.6829895,
4.64707413,
0
],
[
2.6829895,
1.54902471,
4.38130351
]
] |
agm004130195
|
[
[
5.365979,
3.09804942,
2.190651755
],
[
2.6829895,
1.54902471,
1.0953258775
],
[
0,
0,
0
],
[
8.0489685,
4.64707413,
3.2859776325000003
]
] |
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
|
[
"Mg",
"Se",
"Tl",
"Tl"
] |
2024-04-27 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
0.33645094,
0,
0
],
[
0,
0.33645094,
0
],
[
0,
0,
0.33645094
]
] | -10.101543 | -10.573543 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
pbe
| true | 216 |
agm004130195-pbe-0
| 0 | 0 |
[
"Mg",
"Se",
"Tl"
] | 4 |
A2BC
|
MgSeTl
|
Mg Tl2 Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.36746378,
0,
0
],
[
2.68373189,
4.64835999,
0
],
[
2.68373189,
1.54945333,
4.38251583
]
] |
agm004130195
|
[
[
5.36746378,
3.09890666,
2.191257915
],
[
2.68373189,
1.54945333,
1.0956289575
],
[
0,
0,
0
],
[
8.051195669999998,
4.64835999,
3.2868868725000002
]
] |
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
|
[
"Mg",
"Se",
"Tl",
"Tl"
] |
2024-04-27 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
0.11930519,
0,
0
],
[
0,
0.11930519,
0
],
[
0,
0,
0.11930519
]
] | -10.101556 | -10.573556 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
pbe
| true | 216 |
agm004130195-pbe-1
| 1 | 0 |
[
"Mg",
"Se",
"Tl"
] | 4 |
A2BC
|
MgSeTl
|
Mg Tl2 Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.36746378,
0,
0
],
[
2.68373189,
4.64835999,
0
],
[
2.68373189,
1.54945333,
4.38251583
]
] |
agm004130195
|
[
[
5.36746378,
3.09890666,
2.191257915
],
[
2.68373189,
1.54945333,
1.0956289575
],
[
0,
0,
0
],
[
8.051195669999998,
4.64835999,
3.2868868725000002
]
] |
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
|
[
"Mg",
"Se",
"Tl",
"Tl"
] |
2024-04-27 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
0.08889239,
0,
0
],
[
0,
0.08889239,
0
],
[
0,
0,
0.08889239
]
] | -10.101678 | -10.573678 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
pbe
| true | 216 |
agm004130195-pbe-2
| 2 | 1 |
[
"Au",
"Cd",
"W"
] | 4 |
A2BC
|
AuCdW
|
Cd W2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.54481334,
0,
0
],
[
0,
3.89521829,
0
],
[
0,
0,
3.89521829
]
] |
agm004130202
|
[
[
2.27240667,
1.947609145,
0
],
[
0,
0,
0
],
[
0,
1.947609145,
1.947609145
],
[
2.27240667,
0,
1.947609145
]
] |
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Au",
"W",
"W",
"Cd"
] |
2024-04-26 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
-1.51181597,
0,
0
],
[
0,
-3.55092821,
0
],
[
0,
0,
-3.55092821
]
] | -28.003984 | -28.003984 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
pbe
| true | 123 |
agm004130202-pbe-0
| 0 | 0 |
[
"Au",
"Cd",
"W"
] | 4 |
A2BC
|
AuCdW
|
Cd W2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.54124673,
0,
0
],
[
0,
3.88803847,
0
],
[
0,
0,
3.88803847
]
] |
agm004130202
|
[
[
2.270623365,
1.944019235,
0
],
[
0,
0,
0
],
[
0,
1.944019235,
1.944019235
],
[
2.270623365,
0,
1.944019235
]
] |
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Au",
"W",
"W",
"Cd"
] |
2024-04-26 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
5.58066633,
0,
0
],
[
0,
6.92424965,
0
],
[
0,
0,
6.92424965
]
] | -28.00367 | -28.00367 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
pbe
| true | 123 |
agm004130202-pbe-1
| 1 | 0 |
[
"Au",
"Cd",
"W"
] | 4 |
A2BC
|
AuCdW
|
Cd W2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.54360797,
0,
0
],
[
0,
3.89279179,
0
],
[
0,
0,
3.89279179
]
] |
agm004130202
|
[
[
2.271803985,
1.946395895,
0
],
[
0,
0,
0
],
[
0,
1.946395895,
1.946395895
],
[
2.271803985,
0,
1.946395895
]
] |
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Au",
"W",
"W",
"Cd"
] |
2024-04-26 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
0.88813011,
0,
0
],
[
0,
-0.03331791,
0
],
[
0,
0,
-0.03331791
]
] | -28.00409 | -28.00409 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
pbe
| true | 123 |
agm004130202-pbe-2
| 2 | 0 |
[
"Au",
"Cd",
"W"
] | 4 |
A2BC
|
AuCdW
|
Cd W2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.5436545,
0,
0
],
[
0,
3.89288547,
0
],
[
0,
0,
3.89288547
]
] |
agm004130202
|
[
[
2.27182725,
1.946442735,
0
],
[
0,
0,
0
],
[
0,
1.946442735,
1.946442735
],
[
2.27182725,
0,
1.946442735
]
] |
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Au",
"W",
"W",
"Cd"
] |
2024-04-26 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
0.86783183,
0,
0
],
[
0,
-0.23763193,
0
],
[
0,
0,
-0.23763193
]
] | -28.00409 | -28.00409 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
pbe
| true | 123 |
agm004130202-pbe-3
| 3 | 0 |
[
"Au",
"Cd",
"W"
] | 4 |
A2BC
|
AuCdW
|
Cd W2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.5436427,
0,
0
],
[
0,
3.89286172,
0
],
[
0,
0,
3.89286172
]
] |
agm004130202
|
[
[
2.27182135,
1.94643086,
0
],
[
0,
0,
0
],
[
0,
1.94643086,
1.94643086
],
[
2.27182135,
0,
1.94643086
]
] |
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Au",
"W",
"W",
"Cd"
] |
2024-04-26 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
0.90858198,
0,
0
],
[
0,
0.01998696,
0
],
[
0,
0,
0.01998696
]
] | -28.00409 | -28.00409 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
pbe
| true | 123 |
agm004130202-pbe-4
| 4 | 0 |
[
"Au",
"Cd",
"W"
] | 4 |
A2BC
|
AuCdW
|
Cd W2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.54365216,
0,
0
],
[
0,
3.89288075,
0
],
[
0,
0,
3.89288075
]
] |
agm004130202
|
[
[
2.27182608,
1.946440375,
0
],
[
0,
0,
0
],
[
0,
1.946440375,
1.946440375
],
[
2.27182608,
0,
1.946440375
]
] |
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Au",
"W",
"W",
"Cd"
] |
2024-04-26 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
0.85753973,
0,
0
],
[
0,
-0.15836272,
0
],
[
0,
0,
-0.15836272
]
] | -28.00409 | -28.00409 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
pbe
| true | 123 |
agm004130202-pbe-5
| 5 | 0 |
[
"Au",
"Cd",
"W"
] | 4 |
A2BC
|
AuCdW
|
Cd W2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.54365289,
0,
0
],
[
0,
3.89288223,
0
],
[
0,
0,
3.89288223
]
] |
agm004130202
|
[
[
2.271826445,
1.946441115,
0
],
[
0,
0,
0
],
[
0,
1.946441115,
1.946441115
],
[
2.271826445,
0,
1.946441115
]
] |
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Au",
"W",
"W",
"Cd"
] |
2024-04-26 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
0.80918743,
0,
0
],
[
0,
-0.20882729,
0
],
[
0,
0,
-0.20882729
]
] | -28.00409 | -28.00409 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
pbe
| true | 123 |
agm004130202-pbe-6
| 6 | 0 |
[
"Au",
"Cd",
"W"
] | 4 |
A2BC
|
AuCdW
|
Cd W2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.54365245,
0,
0
],
[
0,
3.89288134,
0
],
[
0,
0,
3.89288134
]
] |
agm004130202
|
[
[
2.271826225,
1.94644067,
0
],
[
0,
0,
0
],
[
0,
1.94644067,
1.94644067
],
[
2.271826225,
0,
1.94644067
]
] |
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Au",
"W",
"W",
"Cd"
] |
2024-04-26 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
0.81193355,
0,
0
],
[
0,
-0.19144099,
0
],
[
0,
0,
-0.19144099
]
] | -28.00409 | -28.00409 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
pbe
| true | 123 |
agm004130202-pbe-7
| 7 | 0 |
[
"Au",
"Cd",
"W"
] | 4 |
A2BC
|
AuCdW
|
Cd W2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.54523957,
0,
0
],
[
0,
3.89241208,
0
],
[
0,
0,
3.89241208
]
] |
agm004130202
|
[
[
2.272619785,
1.94620604,
0
],
[
0,
0,
0
],
[
0,
1.94620604,
1.94620604
],
[
2.272619785,
0,
1.94620604
]
] |
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Au",
"W",
"W",
"Cd"
] |
2024-04-26 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
0.08559825,
0,
0
],
[
0,
0.06487779,
0
],
[
0,
0,
0.06487779
]
] | -28.004098 | -28.004098 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
pbe
| true | 123 |
agm004130202-pbe-8
| 8 | 0 |
[
"Au",
"Cd",
"W"
] | 4 |
A2BC
|
AuCdW
|
Cd W2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.54523957,
0,
0
],
[
0,
3.89241208,
0
],
[
0,
0,
3.89241208
]
] |
agm004130202
|
[
[
2.272619785,
1.94620604,
0
],
[
0,
0,
0
],
[
0,
1.94620604,
1.94620604
],
[
2.272619785,
0,
1.94620604
]
] |
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Au",
"W",
"W",
"Cd"
] |
2024-04-26 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
0.22754588,
0,
0
],
[
0,
-0.05964605,
0
],
[
0,
0,
-0.05964605
]
] | -28.003547 | -28.003547 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
pbe
| true | 123 |
agm004130202-pbe-9
| 9 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.413848,
0,
0
],
[
2.29855925,
4.90167069,
0
],
[
-3.77451525,
-2.5793592,
2.89994672
]
] |
agm004130213
|
[
[
0.024619315051232497,
0.0156469661264973,
0
],
[
2.737972659051774,
-0.07048753944336883,
1.44997336
],
[
3.824487507045462,
2.4306779595379786,
0
],
[
1.2070161438515294,
2.3973094487788935,
1.44997336
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.00919467,
0.12013654,
-1.19787401
],
[
0.12013654,
-0.10347147,
1.88476407
],
[
-1.19787401,
1.88476407,
0.05472226
]
] | -13.648572 | -13.648572 |
[
[
-0.00957362,
-0.00608458,
0
],
[
0.02043631,
0.01298843,
0
],
[
-0.00094065,
-0.00059784,
0
],
[
-0.00992204,
-0.00630602,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-0
| 0 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.41387684,
0.00037677,
-0.0037568
],
[
2.29891263,
4.90153684,
0.0037568
],
[
-3.7767272,
-2.576301,
2.89984163
]
] |
agm004130213
|
[
[
0.0241586933289863,
0.015354214981466899,
0
],
[
2.737962099472103,
-0.06808302135929467,
1.448042415
],
[
3.824631694020962,
2.43076959731389,
0
],
[
1.2057045953058436,
2.3985286730830744,
1.451799215
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.01221042,
0.08063942,
-1.00763333
],
[
0.08063942,
-0.0634136,
1.58543485
],
[
-1.00763333,
1.58543485,
0.08263321
]
] | -13.648859 | -13.648859 |
[
[
-0.00984195,
-0.00625511,
0
],
[
0.01366889,
0.00868735,
0
],
[
0.00817953,
0.00519855,
0
],
[
-0.01200647,
-0.00763079,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-1
| 1 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40923915,
0.00216845,
-0.06119289
],
[
2.29856577,
4.89657748,
0.0611929
],
[
-3.80511329,
-2.52613241,
2.89885956
]
] |
agm004130213
|
[
[
0.011009751469678801,
0.006997319698952701,
1.4283900004095039e-11
],
[
2.726234417233652,
-0.03906218123219518,
1.4188333374963935
],
[
3.8459399892054433,
2.444312364504473,
4.9896696011075825e-9
],
[
1.1734100091692763,
2.4097390310162288,
1.480026232499653
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
1.01252926,
-0.20846522,
-0.07132534
],
[
-0.20846522,
1.20804246,
0.11222811
],
[
-0.07132534,
0.11222811,
1.35450505
]
] | -13.650886 | -13.650886 |
[
[
-0.03723871,
-0.0236673,
0
],
[
0.0207275,
0.0131735,
0
],
[
-0.00459809,
-0.00292235,
0
],
[
0.0211093,
0.01341615,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-10
| 10 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40911587,
0.00121099,
-0.06462902
],
[
2.29764656,
4.89687239,
0.06462904
],
[
-3.80641175,
-2.52293797,
2.89978068
]
] |
agm004130213
|
[
[
0.0076678432797285005,
0.004873348058931001,
1.989900000960894e-11
],
[
2.7266454314714403,
-0.037230667516793936,
1.417575834996374
],
[
3.847317842590573,
2.4451880739199514,
9.984264796869535e-9
],
[
1.1721007776582575,
2.411356345537912,
1.4822048649994624
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.68261152,
-0.02554657,
-0.08600104
],
[
-0.02554657,
0.70657129,
0.13531781
],
[
-0.08600104,
0.13531781,
0.73964979
]
] | -13.651094 | -13.651094 |
[
[
-0.02415674,
-0.01535297,
0
],
[
0.01155727,
0.0073453,
0
],
[
-0.001172,
-0.00074487,
0
],
[
0.01377147,
0.00875255,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-11
| 11 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40886748,
-0.00071827,
-0.07155275
],
[
2.29579436,
4.89746663,
0.07155277
],
[
-3.80902812,
-2.51650124,
2.90163674
]
] |
agm004130213
|
[
[
0.0009358082270864,
0.0005947590558056001,
2.4292000008074464e-12
],
[
2.7274728266440014,
-0.033540711652880306,
1.4150420000036021
],
[
3.8500931780151904,
2.4469519684063217,
9.994191203788194e-9
],
[
1.1694628271137208,
2.4146152841907536,
1.4865947599997773
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.03516882,
0.34377519,
-0.13994019
],
[
0.34377519,
-0.2872461,
0.22018419
],
[
-0.13994019,
0.22018419,
-0.47833599
]
] | -13.651232 | -13.651232 |
[
[
0.00452653,
0.00287687,
0
],
[
-0.00924297,
-0.00587443,
0
],
[
0.00529733,
0.00336676,
0
],
[
-0.00058089,
-0.00036919,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-12
| 12 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40888274,
-0.00059978,
-0.07112752
],
[
2.29590811,
4.89743013,
0.07112754
],
[
-3.80886743,
-2.51689656,
2.90152274
]
] |
agm004130213
|
[
[
0.001349262973652,
0.0008575329308919999,
3.5023999996606266e-12
],
[
2.7274220310231234,
-0.03376732401943183,
1.4151976150031582
],
[
3.8499227264725095,
2.4468436352357745,
9.993581406853025e-9
],
[
1.1696248245307153,
2.414415120852765,
1.4863251449997579
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.04677648,
0.32087132,
-0.12791155
],
[
0.32087132,
-0.25415769,
0.20125814
],
[
-0.12791155,
0.20125814,
-0.43304593
]
] | -13.651233 | -13.651233 |
[
[
0.00778226,
0.00494606,
0
],
[
-0.01184169,
-0.00752606,
0
],
[
0.00574022,
0.00364824,
0
],
[
-0.00168079,
-0.00106824,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-13
| 13 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40899931,
0.00030561,
-0.06787827
],
[
2.29677734,
4.89715126,
0.06787829
],
[
-3.80763959,
-2.51991726,
2.90065171
]
] |
agm004130213
|
[
[
0.0045090352067475,
0.0028657468874805,
1.1702999992159978e-11
],
[
2.7270334796243625,
-0.03549915261822245,
1.416386724999765
],
[
3.848620018255798,
2.4460156846651384,
9.98892179387978e-9
],
[
1.1708627748553249,
2.4128857170910356,
1.48426500499961
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.28823989,
0.14052643,
-0.11746599
],
[
0.14052643,
0.15644531,
0.18482403
],
[
-0.11746599,
0.18482403,
0.09013331
]
] | -13.651195 | -13.651195 |
[
[
-0.01010919,
-0.00642497,
0
],
[
0.00154277,
0.00098052,
0
],
[
0.00183926,
0.00116896,
0
],
[
0.00672716,
0.00427549,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-14
| 14 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40891549,
-0.00034535,
-0.07021442
],
[
2.29615238,
4.89735177,
0.07021444
],
[
-3.80852238,
-2.51774543,
2.90127797
]
] |
agm004130213
|
[
[
0.0022374746587693,
0.0014220416943038002,
5.807800001014253e-12
],
[
2.727312775080632,
-0.03425403695238782,
1.4155317800022045
],
[
3.8495565426736746,
2.4466109087791836,
9.992271600423042e-9
],
[
1.1699727096376036,
2.413985335448965,
1.4857462099997165
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.17318446,
0.27358598,
-0.11890784
],
[
0.27358598,
-0.08340236,
0.18709194
],
[
-0.11890784,
0.18709194,
-0.23400022
]
] | -13.65123 | -13.65123 |
[
[
-0.00204765,
-0.0013014,
0
],
[
-0.00552348,
-0.00351048,
0
],
[
0.00509499,
0.00323815,
0
],
[
0.00247614,
0.00157373,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-15
| 15 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40889988,
-0.00046663,
-0.07064966
],
[
2.29603595,
4.89738912,
0.07064968
],
[
-3.80868685,
-2.5173408,
2.90139464
]
] |
agm004130213
|
[
[
0.0018142041905317998,
0.0011530293694953998,
4.70919999976077e-12
],
[
2.72736476666924,
-0.03402209562417924,
1.4153724950026587
],
[
3.8497310447438258,
2.446721809162327,
9.992895802501955e-9
],
[
1.1698068793964018,
2.4141901920923567,
1.4860221649997363
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.0844613,
0.294617,
-0.13108078
],
[
0.294617,
-0.19184979,
0.20624487
],
[
-0.13108078,
0.20624487,
-0.35343105
]
] | -13.651232 | -13.651232 |
[
[
-0.00106514,
-0.00067696,
0
],
[
-0.00605425,
-0.00384782,
0
],
[
0.00555136,
0.0035282,
0
],
[
0.00156803,
0.00099657,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-16
| 16 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40889131,
-0.0005332,
-0.07088859
],
[
2.29597203,
4.89740963,
0.07088861
],
[
-3.80877714,
-2.51711868,
2.90145869
]
] |
agm004130213
|
[
[
0.0015818854923354,
0.0010053776998432999,
4.106200000855644e-12
],
[
2.7273932841782695,
-0.033894777698313394,
1.4152850550029084
],
[
3.8498268098020123,
2.446782679016546,
9.993238403449567e-9
],
[
1.1697158134787493,
2.4143026370131606,
1.486173654999747
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.04402941,
0.30775301,
-0.12443164
],
[
0.30775301,
-0.24460154,
0.1957828
],
[
-0.12443164,
0.1957828,
-0.41583365
]
] | -13.651233 | -13.651233 |
[
[
0.00055652,
0.0003537,
0
],
[
-0.00657007,
-0.00417565,
0
],
[
0.00462155,
0.00293726,
0
],
[
0.001392,
0.00088469,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-17
| 17 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40888703,
-0.00056642,
-0.0710078
],
[
2.29594014,
4.89741986,
0.07100782
],
[
-3.80882219,
-2.51700786,
2.90149065
]
] |
agm004130213
|
[
[
0.0014659974656359002,
0.0009317243040288001,
3.80540000044212e-12
],
[
2.727407572492059,
-0.033831221144358326,
1.4152414300030327
],
[
3.84987461330267,
2.4468130598859172,
9.993409398612041e-9
],
[
1.169670381739635,
2.414358736954413,
1.4862492399997524
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.09068106,
0.31421874,
-0.12986305
],
[
0.31421874,
-0.20401386,
0.20432881
],
[
-0.12986305,
0.20432881,
-0.37829167
]
] | -13.651233 | -13.651233 |
[
[
0.00007414,
0.00004712,
0
],
[
-0.00645622,
-0.0041033,
0
],
[
0.00512577,
0.00325771,
0
],
[
0.00125632,
0.00079846,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-18
| 18 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40888488,
-0.0005831,
-0.07106766
],
[
2.29592413,
4.897425,
0.07106768
],
[
-3.80884481,
-2.51695221,
2.9015067
]
] |
agm004130213
|
[
[
0.0014078227023072002,
0.000894750951968,
3.654399997670907e-12
],
[
2.7274146837423876,
-0.03379934474755597,
1.4152195250030952
],
[
3.8498985929175875,
2.446828301140444,
9.993495191096269e-9
],
[
1.1696476056377172,
2.4143869326551446,
1.4862871949997551
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.07175141,
0.31153751,
-0.14879454
],
[
0.31153751,
-0.22042878,
0.23411604
],
[
-0.14879454,
0.23411604,
-0.38929573
]
] | -13.651233 | -13.651233 |
[
[
-0.00113986,
-0.00072444,
0
],
[
-0.00634746,
-0.00403417,
0
],
[
0.00610804,
0.003882,
0
],
[
0.00137928,
0.00087661,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-19
| 19 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.41396335,
0.0015071,
-0.0150272
],
[
2.29997275,
4.90113532,
0.0150272
],
[
-3.78336307,
-2.56712643,
2.89952638
]
] |
agm004130213
|
[
[
0.022776476286303998,
0.014475738114988798,
0
],
[
2.7379309074266818,
-0.06086913604187183,
1.44224959
],
[
3.825064135962732,
2.4310444692679702,
0
],
[
1.2017695603242826,
2.4021861286589123,
1.45727679
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-0.04648826,
-0.00369175,
-0.46935248
],
[
-0.00369175,
-0.04302351,
0.73849066
],
[
-0.46935248,
0.73849066,
0.0512235
]
] | -13.64943 | -13.64943 |
[
[
-0.00947144,
-0.00601964,
0
],
[
-0.00709314,
-0.00450809,
0
],
[
0.03673029,
0.02334418,
0
],
[
-0.02016571,
-0.01281645,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-2
| 2 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40888381,
-0.00059144,
-0.07109759
],
[
2.29591612,
4.89742756,
0.07109761
],
[
-3.80885612,
-2.51692438,
2.90151472
]
] |
agm004130213
|
[
[
0.0013786968994741998,
0.0008762398553127999,
3.578800001504778e-12
],
[
2.727418318873057,
-0.033783357609360465,
1.4152085700031267
],
[
3.8499105441426167,
2.4468358922496276,
9.993537997132762e-9
],
[
1.1696362150848516,
2.4144010255044197,
1.4863061699997566
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-0.00802669,
0.30687603,
-0.1704747
],
[
0.30687603,
-0.29583493,
0.26822797
],
[
-0.1704747,
0.26822797,
-0.45749449
]
] | -13.651233 | -13.651233 |
[
[
-0.0028559,
-0.00181509,
0
],
[
-0.00479586,
-0.00304804,
0
],
[
0.00672558,
0.00427448,
0
],
[
0.00092618,
0.00058864,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-20
| 20 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40888319,
-0.00059628,
-0.07111497
],
[
2.29591147,
4.89742906,
0.07111499
],
[
-3.80886269,
-2.51690822,
2.90151938
]
] |
agm004130213
|
[
[
0.001361822456155,
0.0008655151938650001,
3.534999998953026e-12
],
[
2.727420339864392,
-0.03377412598200036,
1.4152022100031445
],
[
3.8499175418386793,
2.4468403443697575,
9.993563004906392e-9
],
[
1.1696295958407743,
2.4144092164183792,
1.4863171899997574
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.03125273,
0.31659058,
-0.13838624
],
[
0.31659058,
-0.26566663,
0.21773926
],
[
-0.13838624,
0.21773926,
-0.43978327
]
] | -13.651233 | -13.651233 |
[
[
-0.00109197,
-0.00069401,
0
],
[
-0.00508815,
-0.00323381,
0
],
[
0.00385098,
0.00244751,
0
],
[
0.00232914,
0.0014803,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-21
| 21 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40888301,
-0.00059767,
-0.07111995
],
[
2.29591014,
4.89742948,
0.07111997
],
[
-3.80886457,
-2.51690359,
2.90152071
]
] |
agm004130213
|
[
[
0.001356968169578,
0.0008624300183771998,
3.52239999930966e-12
],
[
2.727420935373193,
-0.03377147545824344,
1.4152003850031496
],
[
3.849919561050207,
2.446841622541403,
9.99357020053937e-9
],
[
1.1696276904070224,
2.4144115478984625,
1.4863203449997575
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.03845388,
0.32327877,
-0.11639493
],
[
0.32327877,
-0.26473822,
0.18313758
],
[
-0.11639493,
0.18313758,
-0.44741156
]
] | -13.651233 | -13.651233 |
[
[
0.00245502,
0.00156031,
0
],
[
-0.00815966,
-0.00518592,
0
],
[
0.00325058,
0.00206593,
0
],
[
0.00245406,
0.00155969,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-22
| 22 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40888306,
-0.00059727,
-0.07111852
],
[
2.29591052,
4.89742936,
0.07111854
],
[
-3.80886403,
-2.51690493,
2.90152033
]
] |
agm004130213
|
[
[
0.001358355108154,
0.0008633114974670001,
3.525999997755708e-12
],
[
2.7274207986053627,
-0.03377221819239207,
1.4152009100031484
],
[
3.849918928384672,
2.4468412237998565,
9.993567993971109e-9
],
[
1.1696282579018107,
2.41441088789507,
1.4863194399997575
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.0331422,
0.31767311,
-0.13617552
],
[
0.31767311,
-0.26479244,
0.21426086
],
[
-0.13617552,
0.21426086,
-0.44002995
]
] | -13.651233 | -13.651233 |
[
[
0.00147545,
0.00093773,
0
],
[
-0.00764056,
-0.00485601,
0
],
[
0.00564668,
0.00358878,
0
],
[
0.00051843,
0.00032949,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-23
| 23 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40888303,
-0.00059746,
-0.07111921
],
[
2.29591034,
4.89742942,
0.07111923
],
[
-3.80886429,
-2.51690428,
2.90152052
]
] |
agm004130213
|
[
[
0.0013576616397277,
0.0008628707596715999,
3.52420000022675e-12
],
[
2.727420909264041,
-0.03377182483957841,
1.4152006600031493
],
[
3.849919208691876,
2.446841403683262,
9.993569000110725e-9
],
[
1.1696279854043556,
2.4144112103966453,
1.4863198799997577
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.04627153,
0.31622754,
-0.14206058
],
[
0.31622754,
-0.25030732,
0.22352058
],
[
-0.14206058,
0.22352058,
-0.42347371
]
] | -13.651233 | -13.651233 |
[
[
0.0009865,
0.00062698,
0
],
[
-0.00696847,
-0.00442886,
0
],
[
0.00503979,
0.00320307,
0
],
[
0.00094218,
0.00059881,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-24
| 24 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40888302,
-0.00059758,
-0.07111964
],
[
2.29591022,
4.89742946,
0.07111966
],
[
-3.80886445,
-2.51690388,
2.90152063
]
] |
agm004130213
|
[
[
0.0013572763771584,
0.0008626259039807999,
3.523199999905485e-12
],
[
2.7274209458394356,
-0.03377160691553782,
1.4152005000031496
],
[
3.849919374877475,
2.4468415106139423,
9.993569603794494e-9
],
[
1.169627812905931,
2.4144114103976144,
1.4863201499997576
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.04220652,
0.31764035,
-0.13677249
],
[
0.31764035,
-0.25569739,
0.21520016
],
[
-0.13677249,
0.21520016,
-0.43079716
]
] | -13.651233 | -13.651233 |
[
[
0.00231351,
0.00147037,
0
],
[
-0.0078459,
-0.00498652,
0
],
[
0.00487599,
0.00309896,
0
],
[
0.00065641,
0.00041718,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-25
| 25 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.4090073,
0.00024925,
-0.07271648
],
[
2.29672971,
4.89718245,
0.0727165
],
[
-3.81020992,
-2.51582928,
2.90095723
]
] |
agm004130213
|
[
[
0.000407633487829,
0.00025907413693,
1.0580000002379983e-12
],
[
2.7270484454559574,
-0.032659569123641985,
1.4141203800031548
],
[
3.851282047864381,
2.447707566761604,
9.995882399582712e-9
],
[
1.1696574681918324,
2.4150111982251072,
1.4868368699999048
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.22703265,
0.1707564,
-0.15982091
],
[
0.1707564,
0.06688657,
0.25146606
],
[
-0.15982091,
0.25146606,
-0.01034549
]
] | -13.651256 | -13.651256 |
[
[
0.0042578,
0.00270607,
0
],
[
-0.00766394,
-0.00487087,
0
],
[
0.00368769,
0.00234374,
0
],
[
-0.00028155,
-0.00017894,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-26
| 26 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40922956,
0.00176363,
-0.07557209
],
[
2.29819519,
4.89674073,
0.0755721
],
[
-3.812616,
-2.51390759,
2.8999497
]
] |
agm004130213
|
[
[
-0.00129083949713,
-0.0008204015102128,
-1.6748000013742936e-12
],
[
2.7263822820954493,
-0.03067094661024794,
1.412188807501582
],
[
3.8537191575337797,
2.449256490683837,
5.000008802824585e-9
],
[
1.1697106019421473,
2.4160838564216673,
1.4877609025000842
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.61267123,
-0.11334132,
-0.15896026
],
[
-0.11334132,
0.71897123,
0.2501138
],
[
-0.15896026,
0.2501138,
0.82213417
]
] | -13.651266 | -13.651266 |
[
[
0.01012769,
0.00643672,
0
],
[
-0.00990993,
-0.00629832,
0
],
[
0.00438829,
0.00278901,
0
],
[
-0.00460605,
-0.00292741,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-27
| 27 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40917595,
0.00139833,
-0.07488324
],
[
2.29784168,
4.89684729,
0.07488326
],
[
-3.8120356,
-2.51437115,
2.90019274
]
] |
agm004130213
|
[
[
-0.0008811433256379,
-0.0005600164217346,
-2.286599998363166e-12
],
[
2.7265429849171268,
-0.031150641349934283,
1.4126547550031618
],
[
3.853131248206306,
2.448882844947076,
9.999020195161634e-9
],
[
1.1696978322723812,
2.4158251418070487,
1.4875380050001048
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.48037056,
-0.04223546,
-0.16304279
],
[
-0.04223546,
0.51998269,
0.25653679
],
[
-0.16304279,
0.25653679,
0.57875223
]
] | -13.651267 | -13.651267 |
[
[
0.00927993,
0.00589792,
0
],
[
-0.00839281,
-0.00533411,
0
],
[
0.00217287,
0.00138098,
0
],
[
-0.00305999,
-0.0019448,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-28
| 28 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40988212,
0.00187082,
-0.0761096
],
[
2.2985693,
4.89728605,
0.07610962
],
[
-3.81340996,
-2.51379231,
2.90023709
]
] |
agm004130213
|
[
[
-0.0012933239792476,
-0.0008219805396486,
-3.3556000012880446e-12
],
[
2.726400676111745,
-0.03050308653665712,
1.4120637500027289
],
[
3.854452492640776,
2.449722568195115,
1.0000588399061705e-8
],
[
1.169707325226726,
2.4165454938811903,
1.4881733600000384
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.2490542,
-0.11850485,
-0.14741566
],
[
-0.11850485,
0.36019683,
0.23194842
],
[
-0.14741566,
0.23194842,
0.46437959
]
] | -13.651281 | -13.651281 |
[
[
0.00987643,
0.00627703,
0
],
[
-0.00664921,
-0.00422595,
0
],
[
0.00136509,
0.00086759,
0
],
[
-0.00459232,
-0.00291868,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-29
| 29 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.41413637,
0.00376775,
-0.037568
],
[
2.30209299,
4.90033227,
0.037568
],
[
-3.79663482,
-2.54877728,
2.89889588
]
] |
agm004130213
|
[
[
0.020011269222223998,
0.012718292991868,
0
],
[
2.737870307808641,
-0.04644023295383892,
1.43066394
],
[
3.825928898418155,
2.4315941260785765,
0
],
[
1.1938987445509788,
2.4095005638833937,
1.46823194
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.08598697,
-0.25787802,
0.4306521
],
[
-0.25787802,
0.32784026,
-0.6775975
],
[
0.4306521,
-0.6775975,
0.40741518
]
] | -13.649296 | -13.649296 |
[
[
-0.00661954,
-0.00420709,
0
],
[
-0.04998083,
-0.03176565,
0
],
[
0.09350855,
0.05942997,
0
],
[
-0.03690818,
-0.02345723,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-3
| 3 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.41032267,
0.00216559,
-0.07687466
],
[
2.29902322,
4.89755977,
0.07687468
],
[
-3.81426734,
-2.5134312,
2.90026477
]
] |
agm004130213
|
[
[
-0.0015505036453968,
-0.0009854327644032,
-4.0224000006998904e-12
],
[
2.7263119244837175,
-0.030099092764241497,
1.411695060002459
],
[
3.8552768180635644,
2.4502464754874484,
1.0001566602690914e-8
],
[
1.1697132560981167,
2.416994890041196,
1.4885697299999971
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.04004534,
-0.17709234,
-0.12694942
],
[
-0.17709234,
0.20613516,
0.19974607
],
[
-0.12694942,
0.19974607,
0.34354575
]
] | -13.651288 | -13.651288 |
[
[
0.00572661,
0.00363958,
0
],
[
-0.00772657,
-0.00491067,
0
],
[
0.00470596,
0.00299091,
0
],
[
-0.002706,
-0.00171982,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-30
| 30 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.41120375,
0.00275512,
-0.07840477
],
[
2.29993105,
4.89810722,
0.07840479
],
[
-3.81598212,
-2.51270899,
2.90032011
]
] |
agm004130213
|
[
[
-0.0020649647880920004,
-0.0013124019260286,
-5.355800001492208e-12
],
[
2.726134321272712,
-0.02929116126710052,
1.4109576750019188
],
[
3.8569256392836717,
2.4512944078925676,
1.0003522801782516e-8
],
[
1.169725084231708,
2.417893675300561,
1.4893624549999143
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-0.26075933,
-0.2612473,
-0.14399059
],
[
-0.2612473,
-0.01574323,
0.22655869
],
[
-0.14399059,
0.22655869,
0.17848863
]
] | -13.651296 | -13.651296 |
[
[
0.00919938,
0.00584672,
0
],
[
-0.00475154,
-0.00301987,
0
],
[
0.00033251,
0.00021133,
0
],
[
-0.00478034,
-0.00303818,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-31
| 31 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.41156693,
0.00299811,
-0.07903547
],
[
2.30030526,
4.89833287,
0.07903548
],
[
-3.81668893,
-2.5124113,
2.90034292
]
] |
agm004130213
|
[
[
-0.0022770073828194,
-0.0014471669851548001,
-2.9526000039554502e-12
],
[
2.7260610913804344,
-0.02895816811958629,
1.4106537275008482
],
[
3.8576052526168034,
2.4517263340773114,
5.002164404910303e-9
],
[
1.1697300183855817,
2.4182641710274297,
1.48968920249994
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-0.36865443,
-0.30414951,
-0.13466154
],
[
-0.30414951,
-0.0834018,
0.21188003
],
[
-0.13466154,
0.21188003,
0.13627002
]
] | -13.651298 | -13.651298 |
[
[
0.0070738,
0.0044958,
0
],
[
-0.00533483,
-0.00339059,
0
],
[
0.00243797,
0.00154947,
0
],
[
-0.00417693,
-0.00265467,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-32
| 32 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.41229328,
0.00348411,
-0.08029686
],
[
2.30105366,
4.89878417,
0.08029688
],
[
-3.81810256,
-2.51181592,
2.90038854
]
] |
agm004130213
|
[
[
-0.002701214098388,
-0.001716774351656,
-7.004000000419494e-12
],
[
2.7259146419845663,
-0.028292149096403207,
1.4100458450012512
],
[
3.8589646425750574,
2.452590309769891,
1.000594079814121e-8
],
[
1.169739779538764,
2.4190051136781676,
1.4903427149998119
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-0.60885631,
-0.38065984,
-0.13163737
],
[
-0.38065984,
-0.25184715,
0.20712145
],
[
-0.13163737,
0.20712145,
0.01585869
]
] | -13.651299 | -13.651299 |
[
[
0.0087381,
0.00555356,
0
],
[
-0.00317174,
-0.00201582,
0
],
[
-0.00040986,
-0.00026049,
0
],
[
-0.0051565,
-0.00327725,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-33
| 33 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.4118373,
0.00322452,
-0.08209834
],
[
2.30062503,
4.89848155,
0.08209836
],
[
-3.81862594,
-2.51001538,
2.90045756
]
] |
agm004130213
|
[
[
-0.0029146166391303004,
-0.0018524037409137,
-7.55819999686061e-12
],
[
2.724891090920506,
-0.027860976932338577,
1.4091796150004403
],
[
3.859253756111751,
2.4527740626258936,
1.000783819704587e-8
],
[
1.168837324606873,
2.419483043047358,
1.4912779649992796
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-0.45632462,
-0.32961443,
-0.12637215
],
[
-0.32961443,
-0.14718932,
0.19883719
],
[
-0.12637215,
0.19883719,
0.08704362
]
] | -13.651317 | -13.651317 |
[
[
0.00541408,
0.00344096,
0
],
[
-0.00044255,
-0.00028127,
0
],
[
-0.00135381,
-0.00086043,
0
],
[
-0.00361772,
-0.00229926,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-34
| 34 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.41046935,
0.00244574,
-0.08750279
],
[
2.29933914,
4.89757368,
0.08750281
],
[
-3.82019608,
-2.50461375,
2.9006646
]
] |
agm004130213
|
[
[
-0.0035544530081447,
-0.0022590559532026,
-9.22060000509324e-12
],
[
2.7218207063782254,
-0.02656728993462054,
1.4065809099980076
],
[
3.86012016173774,
2.453324720138213,
1.0013530601926668e-8
],
[
1.1661301627940934,
2.420916956749416,
1.494083709997682
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.0094244,
-0.18754376,
-0.08995888
],
[
-0.18754376,
0.18531607,
0.14154421
],
[
-0.08995888,
0.14154421,
0.3221262
]
] | -13.651344 | -13.651344 |
[
[
-0.00067674,
-0.00043011,
0
],
[
0.00826145,
0.00525062,
0
],
[
-0.00658301,
-0.00418387,
0
],
[
-0.00100171,
-0.00063664,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-35
| 35 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.41023434,
0.0016231,
-0.08891978
],
[
2.29849455,
4.89771018,
0.0889198
],
[
-3.82039931,
-2.50310158,
2.90130636
]
] |
agm004130213
|
[
[
-0.0037189991656916,
-0.0023636343476032,
-9.648799994936303e-12
],
[
2.7215891112983264,
-0.026230451836467328,
1.4061932949986753
],
[
3.8596648898974744,
2.453035372569995,
1.0013751793047643e-8
],
[
1.1651589688675466,
2.421457053597844,
1.4951130858864197
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-0.16512114,
-0.03591807,
-0.06627231
],
[
-0.03591807,
-0.13143443,
0.10427423
],
[
-0.06627231,
0.10427423,
-0.09563058
]
] | -13.651354 | -13.651354 |
[
[
0.00115735,
0.00073556,
0
],
[
0.00311882,
0.00198219,
0
],
[
-0.00378552,
-0.00240591,
0
],
[
-0.00049066,
-0.00031184,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-36
| 36 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.41023434,
0.0016231,
-0.08891978
],
[
2.29849455,
4.89771018,
0.0889198
],
[
-3.82039931,
-2.50310158,
2.90130636
]
] |
agm004130213
|
[
[
7.705009890834308,
4.896969645652397,
1.9990351193821532e-8
],
[
2.7215891112983264,
-0.026230451836467328,
1.4061932949986753
],
[
0.03926557989747437,
-0.050066207430004894,
2.9013063700137516
],
[
1.1651589688675466,
2.421457053597844,
1.4951130858864197
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-0.28073511,
0.03192013,
0.08601612
],
[
0.03192013,
-0.31067242,
-0.13534064
],
[
0.08601612,
-0.13534064,
-0.34780303
]
] | -13.650808 | -13.650808 |
[
[
-0.00109422,
-0.00069544,
0
],
[
0.00597143,
0.00379518,
0
],
[
-0.00353142,
-0.00224442,
0
],
[
-0.00134579,
-0.00085532,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-37
| 37 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.4093505,
0.00172977,
-0.08863255
],
[
2.29821588,
4.89686467,
0.08863257
],
[
-3.81968007,
-2.50294927,
2.90072796
]
] |
agm004130213
|
[
[
7.7037952219215935,
4.896197655712397,
1.9990214386589322e-8
],
[
2.7215042925586097,
-0.026102562421482567,
1.4060477099994226
],
[
0.039232428350227,
-0.05039208438612386,
2.90072797001331
],
[
1.1650238671695707,
2.4208845510952104,
1.4946802699970534
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.23281305,
-0.00586412,
0.05857164
],
[
-0.00586412,
0.23831254,
-0.09215751
],
[
0.05857164,
-0.09215751,
0.23057198
]
] | -13.650816 | -13.650816 |
[
[
-0.0005605,
-0.00035623,
0
],
[
0.00543505,
0.00345428,
0
],
[
-0.002867,
-0.00182214,
0
],
[
-0.00200755,
-0.00127591,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-38
| 38 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 |
A2BC
|
CdInTc
|
Cd2 In Tc
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40941659,
0.00172179,
-0.08865402
],
[
2.29823671,
4.89692789,
0.08865404
],
[
-3.81973385,
-2.50296066,
2.9007712
]
] |
agm004130213
|
[
[
7.703886030296559,
4.896255366995906,
1.999022460064115e-8
],
[
2.7215106706965226,
-0.026112106248868727,
1.4060585949993667
],
[
0.03923488382256224,
-0.05036773485248469,
2.9007712100133425
],
[
1.1650339651843569,
2.420927354105447,
1.4947126249970657
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Cd",
"Cd",
"In",
"Tc"
] |
2024-04-26 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.26543549,
0.01140374,
0.10135987
],
[
0.01140374,
0.2547398,
-0.15948155
],
[
0.10135987,
-0.15948155,
0.22764649
]
] | -13.650816 | -13.650816 |
[
[
-0.00117333,
-0.00074572,
0
],
[
0.01079817,
0.00686285,
0
],
[
-0.00551143,
-0.00350283,
0
],
[
-0.00411341,
-0.00261431,
0
]
] |
pbe
| true | 44 |
agm004130213-pbe-39
| 39 | 1 |
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