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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
8.916447,
0,
0
],
[
8.33777529,
3.15983074,
0
],
[
8.33777529,
1.52692821,
2.76640933
]
] | agm004130290 | [
[
0.4063466665355304,
0.074415796197026,
0.0439247153726204
],
[
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2.2689636788029737,
1.3392799496273797
],
[
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1.1716897375,
0.6916023325
],
[
19.193998185,
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]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
10.70774162,
2.57224219,
1.51829332
],
[
2.57224219,
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0.27805078
],
[
1.51829332,
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]
] | -30.667473 | -30.667473 | [
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0.13764338,
0.02520715,
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[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-0 | 0 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
8.97246433,
0.01345663,
0.00794292
],
[
8.39492593,
3.16709899,
0.00794292
],
[
8.39492593,
1.53739442,
2.76893436
]
] | agm004130290 | [
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] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
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1.04467578,
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]
] | -30.671371 | -30.671371 | [
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[
0.0071723,
0.00131349,
0.0007753
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[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-1 | 1 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.05846528,
0.05318917,
0.03139548
],
[
8.48942598,
3.16042227,
0.03139548
],
[
8.48942598,
1.55470057,
2.75175594
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] | agm004130290 | [
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0.703636725
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[
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] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
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0.33068497,
0.19519032
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[
0.33068497,
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0.03574594
],
[
0.19519032,
0.03574594,
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]
] | -30.684262 | -30.684262 | [
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0.03024037,
0.00553803,
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[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-10 | 10 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.05839822,
0.05318507,
0.03139306
],
[
8.48936181,
3.16040234,
0.03139306
],
[
8.48936181,
1.55468882,
2.75173966
]
] | agm004130290 | [
[
0.39203104943858086,
0.0717941232501426,
0.0423772451496636
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[
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2.312343991749857,
1.3648856448503364
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[
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1.1920690575,
0.7036314450000001
],
[
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3.5762071725,
2.1108943350000002
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.86620353,
0.35110135,
0.20724131
],
[
0.35110135,
-0.98668317,
0.03795288
],
[
0.20724131,
0.03795288,
-1.0285796
]
] | -30.684262 | -30.684262 | [
[
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-0.00388361
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[
0.0359272,
0.00657948,
0.00388361
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-11 | 11 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.0584466,
0.05318803,
0.0313948
],
[
8.4894081,
3.16041672,
0.0313948
],
[
8.4894081,
1.55469729,
2.75175141
]
] | agm004130290 | [
[
0.39203030772082803,
0.07179398734828041,
0.0423771648624751
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[
12.626601092279174,
2.3123570326517195,
1.3648933401375247
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[
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1.19207551,
0.7036352524999999
],
[
19.527947100000002,
3.57622653,
2.1109057574999994
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.68149103,
0.33402104,
0.19715947
],
[
0.33402104,
-1.08125679,
0.03610656
],
[
0.19715947,
0.03610656,
-1.12111504
]
] | -30.684262 | -30.684262 | [
[
-0.0317368,
-0.00581208,
-0.00343064
],
[
0.0317368,
0.00581208,
0.00343064
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-12 | 12 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.05917829,
0.05360357,
0.03164008
],
[
8.49023957,
3.16028745,
0.03164008
],
[
8.49023957,
1.55484956,
2.75151971
]
] | agm004130290 | [
[
0.3916955577695661,
0.07173268336431661,
0.0423409796405049
],
[
12.628133157230433,
2.3126376066356835,
1.365058955359495
],
[
6.5099143575,
1.192185145,
0.7036999675000001
],
[
19.5297430725,
3.5765554350000004,
2.1110999025000003
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.42090182,
0.26468254,
0.15623168
],
[
0.26468254,
-0.97592207,
0.0286113
],
[
0.15623168,
0.0286113,
-1.00750626
]
] | -30.684307 | -30.684307 | [
[
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-0.00587669,
-0.00346878
],
[
0.03208961,
0.00587669,
0.00346878
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-13 | 13 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.06137337,
0.05485019,
0.03237591
],
[
8.49273396,
3.15989963,
0.03237591
],
[
8.49273396,
1.55530637,
2.7508246
]
] | agm004130290 | [
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0.39069141920824535,
0.0715487917258383,
0.0422324356021394
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[
12.632729225791756,
2.3134793032741614,
1.3655557743978606
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[
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1.1925140475,
0.703894105
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[
19.535130967500002,
3.5775421424999996,
2.1116823150000004
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
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0.07622093,
0.04499021
],
[
0.07622093,
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0.00823923
],
[
0.04499021,
0.00823923,
-0.53124042
]
] | -30.684407 | -30.684407 | [
[
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-0.00224658
],
[
0.02078305,
0.00380608,
0.00224658
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-14 | 14 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.06576352,
0.05734343,
0.03384757
],
[
8.49772276,
3.159124,
0.03384757
],
[
8.49772276,
1.55621999,
2.74943439
]
] | agm004130290 | [
[
0.3886818232522776,
0.0711807669924898,
0.042015205065030696
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[
12.641922696747722,
2.3151629430075102,
1.366549559934969
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6.51530226,
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0.7042823825
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[
19.545906780000003,
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2.1128471475
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
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[
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[
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0.61128072
]
] | -30.68443 | -30.68443 | [
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0.00451852,
0.00082749,
0.00048844
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[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-15 | 15 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.06425806,
0.05648845,
0.03334291
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[
8.49601202,
3.15938998,
0.03334291
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[
8.49601202,
1.55590669,
2.74991111
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] | agm004130290 | [
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0.38937074874724503,
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0.0420896753936085
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0.7041492325
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"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
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[
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0.21192061,
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[
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0.23583959
]
] | -30.68445 | -30.68445 | [
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0.00756725,
0.00138582,
0.00081799
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[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-16 | 16 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
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0.05632368,
0.03324565
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[
8.49568232,
3.15944124,
0.03324565
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[
8.49568232,
1.55584632,
2.75000299
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] | agm004130290 | [
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0.7041235725
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19.5414994275,
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2.1123707174999997
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] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
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[
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[
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0.16791628
]
] | -30.68445 | -30.68445 | [
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[
0.00751033,
0.00137539,
0.00081184
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-17 | 17 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
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0.05597394,
0.03303922
],
[
8.49381734,
3.15910846,
0.03303922
],
[
8.49381734,
1.55550478,
2.7498114
]
] | agm004130290 | [
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0.07125735429609581,
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1.3658845084789897
],
[
6.512435184999999,
1.192646795,
0.70397246
],
[
19.537305555,
3.577940385,
2.11191738
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.247723,
-0.09678286,
-0.05712711
],
[
-0.09678286,
0.26303456,
-0.0104619
],
[
-0.05712711,
-0.0104619,
0.27458352
]
] | -30.684462 | -30.684462 | [
[
-0.00982486,
-0.00179926,
-0.00106203
],
[
0.00982486,
0.00179926,
0.00106203
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-18 | 18 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.05652044,
0.05492474,
0.03241991
],
[
8.4882224,
3.15811013,
0.03241991
],
[
8.4882224,
1.55448015,
2.74923664
]
] | agm004130290 | [
[
0.3878896200980856,
0.0710356877470988,
0.0419295704094124
],
[
12.628592999901915,
2.312721822252901,
1.3651086595905875
],
[
6.508241309999999,
1.191878755,
0.703519115
],
[
19.52472393,
3.575636265,
2.110557345
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.9722189,
0.07629385,
0.04503326
],
[
0.07629385,
0.56958911,
0.00824711
],
[
0.04503326,
0.00824711,
0.56048507
]
] | -30.684469 | -30.684469 | [
[
-0.00926414,
-0.00169658,
-0.00100142
],
[
0.00926414,
0.00169658,
0.00100142
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-19 | 19 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
8.99233967,
0.01823114,
0.01076112
],
[
8.41520336,
3.16967781,
0.01076112
],
[
8.41520336,
1.5411079,
2.76983026
]
] | agm004130290 | [
[
0.40094875028767435,
0.073427255469276,
0.0433412186134
],
[
12.510424444712324,
2.291081169530724,
1.3523350313866
],
[
6.4556865975,
1.1822542125000002,
0.697838125
],
[
19.3670597925,
3.5467626375,
2.0935143750000003
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-8.71549978,
1.46928165,
0.86725913
],
[
1.46928165,
-16.4694216,
0.15882443
],
[
0.86725913,
0.15882443,
-16.64474887
]
] | -30.671649 | -30.671649 | [
[
0.03679238,
0.00673793,
0.00397713
],
[
-0.03679238,
-0.00673793,
-0.00397713
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-2 | 2 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.05807372,
0.05521651,
0.03259213
],
[
8.48977828,
3.15838775,
0.03259213
],
[
8.48977828,
1.55476509,
2.74939647
]
] | agm004130290 | [
[
0.38822627500085594,
0.07109734068237,
0.04196596160044601
],
[
12.630588864999144,
2.3130873343176304,
1.3653244033995542
],
[
6.50940757,
1.1920923375,
0.7036451825000001
],
[
19.528222709999998,
3.5762770125000003,
2.1109355475
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.58885742,
0.0139745,
0.0082486
],
[
0.0139745,
0.51510901,
0.0015106
],
[
0.0082486,
0.0015106,
0.51344145
]
] | -30.684471 | -30.684471 | [
[
-0.00523166,
-0.00095809,
-0.00056552
],
[
0.00523166,
0.00095809,
0.00056552
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-20 | 20 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.06018486,
0.05561306,
0.0328262
],
[
8.49189294,
3.15876508,
0.0328262
],
[
8.49189294,
1.55515235,
2.74961371
]
] | agm004130290 | [
[
0.3886838654796636,
0.0711811407670286,
0.042015425562895406
],
[
12.633301504520336,
2.3135841042329712,
1.3656176294371047
],
[
6.510992685,
1.1923826225,
0.7038165275
],
[
19.532978055,
3.5771478675,
2.1114495825
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.06121833,
-0.05568191,
-0.03286684
],
[
-0.05568191,
0.35507158,
-0.00601903
],
[
-0.03286684,
-0.00601903,
0.36171603
]
] | -30.684469 | -30.684469 | [
[
-0.00570749,
-0.00104523,
-0.00061696
],
[
0.00570749,
0.00104523,
0.00061696
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-21 | 21 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.05890733,
0.05537309,
0.03268456
],
[
8.49061327,
3.15853674,
0.03268456
],
[
8.49061327,
1.554918,
2.74948225
]
] | agm004130290 | [
[
0.388406824764759,
0.071130405263931,
0.041985478579508996
],
[
12.631660110235241,
2.3132835097360696,
1.3654402064204911
],
[
6.5100334675000004,
1.1922069575,
0.7037128425
],
[
19.5301004025,
3.5766208725,
2.1111385274999996
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.48108153,
0.00263382,
0.00155464
],
[
0.00263382,
0.46718191,
0.00028471
],
[
0.00155464,
0.00028471,
0.46686762
]
] | -30.684471 | -30.684471 | [
[
-0.01095649,
-0.0020065,
-0.00118436
],
[
0.01095649,
0.0020065,
0.00118436
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-22 | 22 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.05854885,
0.05519785,
0.03258112
],
[
8.49021596,
3.15857358,
0.03258112
],
[
8.49021596,
1.55484524,
2.74956448
]
] | agm004130290 | [
[
0.38809408303934956,
0.07107313186551449,
0.041951672189232
],
[
12.631396301960649,
2.3132352031344854,
1.365411687810768
],
[
6.5097451925000005,
1.1921541675,
0.70368168
],
[
19.5292355775,
3.5764625025,
2.11104504
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.12714493,
0.006564,
0.00387447
],
[
0.006564,
0.09250438,
0.00070955
],
[
0.00387447,
0.00070955,
0.09172111
]
] | -30.684475 | -30.684475 | [
[
-0.00578973,
-0.0010603,
-0.00062585
],
[
0.00578973,
0.0010603,
0.00062585
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-23 | 23 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.05826319,
0.0550582,
0.03249869
],
[
8.48989934,
3.15860293,
0.03249869
],
[
8.48989934,
1.55478726,
2.74963001
]
] | agm004130290 | [
[
0.38784474297221094,
0.071027469303567,
0.04192471936226701
],
[
12.631186192027787,
2.3131967256964328,
1.365388975637733
],
[
6.5095154675,
1.1921120975,
0.7036568475
],
[
19.528546402499998,
3.5763362924999997,
2.1109705425
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.08590163,
0.00246516,
0.00145508
],
[
0.00246516,
-0.09891114,
0.00026648
],
[
0.00145508,
0.00026648,
-0.0992053
]
] | -30.684475 | -30.684475 | [
[
-0.00182151,
-0.00033358,
-0.0001969
],
[
0.00182151,
0.00033358,
0.0001969
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-24 | 24 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.05826319,
0.0550582,
0.03249869
],
[
8.48989934,
3.15860293,
0.03249869
],
[
8.48989934,
1.55478726,
2.74963001
]
] | agm004130290 | [
[
0.38784474297221094,
0.071027469303567,
0.04192471936226701
],
[
12.631186192027787,
2.3131967256964328,
1.365388975637733
],
[
6.5095154675,
1.1921120975,
0.7036568475
],
[
19.528546402499998,
3.5763362924999997,
2.1109705425
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.02155676,
0.0371886,
0.02195097
],
[
0.0371886,
-0.1747007,
0.00401996
],
[
0.02195097,
0.00401996,
-0.17913836
]
] | -30.677794 | -30.677794 | [
[
-0.00062946,
-0.00011528,
-0.00006804
],
[
0.00062946,
0.00011528,
0.00006804
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-25 | 25 | 1 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.0034674,
0.02262654,
0.01335556
],
[
8.42716657,
3.16951114,
0.01335556
],
[
8.42716657,
1.54329877,
2.76843063
]
] | agm004130290 | [
[
0.3998458927781604,
0.073225285039827,
0.043222003617105
],
[
12.52905437722184,
2.294492939960173,
1.3543488713828953
],
[
6.464450135000001,
1.1838591125,
0.6987854375
],
[
19.393350405000003,
3.5515773374999995,
2.0963563124999998
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-8.63809455,
1.41347424,
0.83431821
],
[
1.41347424,
-16.09750079,
0.15279184
],
[
0.83431821,
0.15279184,
-16.26616865
]
] | -30.673308 | -30.673308 | [
[
0.03609429,
0.00661008,
0.00390167
],
[
-0.03609429,
-0.00661008,
-0.00390167
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-3 | 3 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.03685062,
0.03581276,
0.02113886
],
[
8.4630562,
3.16901112,
0.02113886
],
[
8.4630562,
1.54987137,
2.76423173
]
] | agm004130290 | [
[
0.39651727568590844,
0.07261570283000499,
0.042862191054369
],
[
12.584964234314093,
2.304731922169995,
1.360392533945631
],
[
6.490740755,
1.1886738125,
0.7016273625
],
[
19.472222265,
3.5660214375,
2.1048820875
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-9.6221851,
1.03510464,
0.61098153
],
[
1.03510464,
-15.0848004,
0.11189135
],
[
0.61098153,
0.11189135,
-15.20831796
]
] | -30.677896 | -30.677896 | [
[
0.0469139,
0.00859152,
0.00507124
],
[
-0.0469139,
-0.00859152,
-0.00507124
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-4 | 4 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.10361705,
0.0621852,
0.03670547
],
[
8.53483546,
3.16801108,
0.03670547
],
[
8.53483546,
1.56301658,
2.75583393
]
] | agm004130290 | [
[
0.38977993296987157,
0.0713818680107208,
0.042133906792603606
],
[
12.69686405203013,
2.325224561989279,
1.3724885282073964
],
[
6.5433219925,
1.198303215,
0.7073112175
],
[
19.6299659775,
3.594909645,
2.1219336525
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-18.96121244,
-1.97290363,
-1.16452736
],
[
-1.97290363,
-8.54949833,
-0.21326428
],
[
-1.16452736,
-0.21326428,
-8.31407456
]
] | -30.681727 | -30.681727 | [
[
0.11677943,
0.02138626,
0.01262347
],
[
-0.11677943,
-0.02138626,
-0.01262347
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-5 | 5 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.08494183,
0.05480857,
0.03235134
],
[
8.51475809,
3.1682908,
0.03235134
],
[
8.51475809,
1.55933973,
2.75818288
]
] | agm004130290 | [
[
0.3916581126194776,
0.07172582601202501,
0.04233693190749
],
[
12.665570892380526,
2.319493723987975,
1.3691058480925102
],
[
6.5286145025,
1.1956097749999999,
0.70572139
],
[
19.5858435075,
3.586829325,
2.11716417
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-15.04931796,
-0.74182347,
-0.43786919
],
[
-0.74182347,
-11.1344517,
-0.08018864
],
[
-0.43786919,
-0.08018864,
-11.04593097
]
] | -30.681911 | -30.681911 | [
[
0.09210529,
0.01686759,
0.00995627
],
[
-0.09210529,
-0.01686759,
-0.00995627
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-6 | 6 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.06636621,
0.05367242,
0.03168072
],
[
8.49698539,
3.16277034,
0.03168072
],
[
8.49698539,
1.55608495,
2.75367382
]
] | agm004130290 | [
[
0.3919193231656508,
0.0717736624284732,
0.0423651679123192
],
[
12.63824917183435,
2.314490192571527,
1.3661524620876806
],
[
6.515084247500001,
1.1931319274999999,
0.704258815
],
[
19.545252742500004,
3.5793957825,
2.112776445
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-4.10627137,
0.02025535,
0.01195593
],
[
0.02025535,
-4.21316603,
0.00218954
],
[
0.01195593,
0.00218954,
-4.21558307
]
] | -30.684036 | -30.684036 | [
[
0.00818534,
0.00149901,
0.00088481
],
[
-0.00818534,
-0.00149901,
-0.00088481
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-7 | 7 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.05854385,
0.05319398,
0.03139831
],
[
8.48950115,
3.16044562,
0.03139831
],
[
8.48950115,
1.55471434,
2.75177502
]
] | agm004130290 | [
[
0.3920288457227835,
0.0717937197432826,
0.042377006837615604
],
[
12.626744229277216,
2.312383250256717,
1.3649088131623843
],
[
6.509386537500001,
1.192088485,
0.70364291
],
[
19.528159612499998,
3.5762654549999997,
2.11092873
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.64126475,
0.33165929,
0.19576542
],
[
0.33165929,
-1.10901926,
0.03585126
],
[
0.19576542,
0.03585126,
-1.14859569
]
] | -30.684262 | -30.684262 | [
[
-0.02751846,
-0.00503956,
-0.00297465
],
[
0.02751846,
0.00503956,
0.00297465
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-8 | 8 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru2 W | 3 | [
1,
1,
1
] | 3 | [
[
9.05834981,
0.05318211,
0.03139131
],
[
8.48931549,
3.16038796,
0.03139131
],
[
8.48931549,
1.55468034,
2.75172791
]
] | agm004130290 | [
[
0.39203152940040875,
0.07179421131325521,
0.0423772969872616
],
[
12.626458865599592,
2.3123309936867447,
1.3648779680127383
],
[
6.509245197499999,
1.1920626025,
0.7036276325
],
[
19.527735592499997,
3.5761878075,
2.1108828975000002
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Ru",
"Sr",
"W"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.89253616,
0.36136086,
0.21329709
],
[
0.36136086,
-1.01449363,
0.0390619
],
[
0.21329709,
0.0390619,
-1.0576143
]
] | -30.684262 | -30.684262 | [
[
-0.03724402,
-0.00682064,
-0.00402595
],
[
0.03724402,
0.00682064,
0.00402595
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 166 | agm004130290-pbe-9 | 9 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.81646221,
0,
0
],
[
-1.07460179,
2.60339978,
0
],
[
0,
0,
8.29004862
]
] | agm004130317 | [
[
0.87093021,
1.30169989,
6.278404074480195
],
[
0,
0,
8.149388214845985
],
[
0.87093021,
1.30169989,
2.056282561015654
],
[
0,
0,
4.241046699658168
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
35.81332528,
13.62086284,
0
],
[
13.62086284,
47.05785535,
0
],
[
0,
0,
70.12533952
]
] | -34.383712 | -34.997712 | [
[
0,
0,
-0.83950149
],
[
0,
0,
1.01697124
],
[
0,
0,
-0.29973973
],
[
0,
0,
0.12226999
]
] | pbe | true | 35 | agm004130317-pbe-0 | 0 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.86261639,
0.0175538,
0
],
[
-1.07598573,
2.65275997,
0
],
[
0,
0,
8.55605653
]
] | agm004130317 | [
[
0.89331533,
1.335156885,
6.438063772788556
],
[
0,
0,
8.461518351264766
],
[
0.89331533,
1.335156885,
2.1073395256653744
],
[
0,
0,
4.3832196752813015
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-62.06746945,
-9.14861747,
0
],
[
-9.14861747,
-69.61999424,
0
],
[
0,
0,
-70.29629111
]
] | -34.408901 | -35.022901 | [
[
0,
0,
0.08828996
],
[
0,
0,
0.47394771
],
[
0,
0,
-0.72865614
],
[
0,
0,
0.16641847
]
] | pbe | true | 35 | agm004130317-pbe-1 | 1 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.85168877,
-0.00891743,
0
],
[
-1.09628508,
2.6325591,
0
],
[
0,
0,
8.46676297
]
] | agm004130317 | [
[
0.877701845,
1.311820835,
6.335168607982057
],
[
0,
0,
8.38290789554223
],
[
0.877701845,
1.311820835,
2.024867004737756
],
[
0,
0,
4.423964001405586
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-6.90697772,
4.94668805,
0
],
[
4.94668805,
-2.82330232,
0
],
[
0,
0,
2.63821432
]
] | -34.484885 | -35.098885 | [
[
0,
0,
0.04502041
],
[
0,
0,
-0.02756155
],
[
0,
0,
-0.0600504
],
[
0,
0,
0.04259154
]
] | pbe | true | 35 | agm004130317-pbe-10 | 10 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.85249007,
-0.00994611,
0
],
[
-1.09754167,
2.63290729,
0
],
[
0,
0,
8.47307452
]
] | agm004130317 | [
[
0.8774742,
1.31148059,
6.3374788762603265
],
[
0,
0,
8.384055805977663
],
[
0.8774742,
1.31148059,
2.0227802999279176
],
[
0,
0,
4.4383713178340924
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-8.39550595,
5.6135876,
0
],
[
5.6135876,
-3.7612801,
0
],
[
0,
0,
2.36535189
]
] | -34.485165 | -35.099165 | [
[
0,
0,
0.04247798
],
[
0,
0,
0.02992757
],
[
0,
0,
-0.08815354
],
[
0,
0,
0.01574799
]
] | pbe | true | 35 | agm004130317-pbe-11 | 11 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84280307,
-0.00393039,
0
],
[
-1.08828501,
2.62624836,
0
],
[
0,
0,
8.48772882
]
] | agm004130317 | [
[
0.8772590299999999,
1.311158985,
6.3480430023817815
],
[
0,
0,
8.395085175052412
],
[
0.8772590299999999,
1.311158985,
2.0190308851415772
],
[
0,
0,
4.457162987424228
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
2.53296638,
2.98760467,
0
],
[
2.98760467,
4.99934541,
0
],
[
0,
0,
6.36679356
]
] | -34.486906 | -35.100906 | [
[
0,
0,
0.01367476
],
[
0,
0,
0.00051945
],
[
0,
0,
-0.01390805
],
[
0,
0,
-0.00028615
]
] | pbe | true | 35 | agm004130317-pbe-12 | 12 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84151042,
-0.00312764,
0
],
[
-1.08704979,
2.62535978,
0
],
[
0,
0,
8.48968431
]
] | agm004130317 | [
[
0.877230315,
1.31111607,
6.349452638889207
],
[
0,
0,
8.39655688775514
],
[
0.877230315,
1.31111607,
2.01853034859008
],
[
0,
0,
4.4596708997655705
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
3.88406126,
2.60570739,
0
],
[
2.60570739,
6.03516985,
0
],
[
0,
0,
6.71435443
]
] | -34.486922 | -35.100922 | [
[
0,
0,
0.009567
],
[
0,
0,
-0.00247413
],
[
0,
0,
-0.00347574
],
[
0,
0,
-0.00361712
]
] | pbe | true | 35 | agm004130317-pbe-13 | 13 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.83993299,
0.00418292,
0
],
[
-1.07969041,
2.62669098,
0
],
[
0,
0,
8.52492452
]
] | agm004130317 | [
[
0.88012129,
1.3154369499999998,
6.3759739933882
],
[
0,
0,
8.428957313447231
],
[
0.88012129,
1.3154369499999998,
2.0218629978495257
],
[
0,
0,
4.485516995315046
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.48993648,
-1.90304423,
0
],
[
-1.90304423,
-2.06097045,
0
],
[
0,
0,
-5.06240219
]
] | -34.48735 | -35.10135 | [
[
0,
0,
0.00142998
],
[
0,
0,
0.03740495
],
[
0,
0,
-0.05439197
],
[
0,
0,
0.01555704
]
] | pbe | true | 35 | agm004130317-pbe-14 | 14 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84049662,
0.00157078,
0
],
[
-1.08232,
2.62621533,
0
],
[
0,
0,
8.5123328
]
] | agm004130317 | [
[
0.8790883100000001,
1.313893055,
6.3664977258088955
],
[
0,
0,
8.41737900446592
],
[
0.8790883100000001,
1.313893055,
2.020669562453248
],
[
0,
0,
4.476285707271935
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
1.22772561,
-0.31959147,
0
],
[
-0.31959147,
0.96389094,
0
],
[
0,
0,
-0.7558096
]
] | -34.487533 | -35.101533 | [
[
0,
0,
0.00502615
],
[
0,
0,
0.02010947
],
[
0,
0,
-0.0352364
],
[
0,
0,
0.01010078
]
] | pbe | true | 35 | agm004130317-pbe-15 | 15 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.8404728,
0.00168121,
0
],
[
-1.08220884,
2.62623544,
0
],
[
0,
0,
8.5128651
]
] | agm004130317 | [
[
0.87913198,
1.313958325,
6.366898309465387
],
[
0,
0,
8.417868420904732
],
[
0.87913198,
1.313958325,
2.020719985821099
],
[
0,
0,
4.476675948680134
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
1.11742089,
-0.38776782,
0
],
[
-0.38776782,
0.79730409,
0
],
[
0,
0,
-1.01350511
]
] | -34.487533 | -35.101533 | [
[
0,
0,
0.00699311
],
[
0,
0,
0.01970406
],
[
0,
0,
-0.03826258
],
[
0,
0,
0.01156541
]
] | pbe | true | 35 | agm004130317-pbe-16 | 16 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.841689,
0.00170735,
0
],
[
-1.0826487,
2.62736961,
0
],
[
0,
0,
8.51161331
]
] | agm004130317 | [
[
0.8795201500000001,
1.3145384800000002,
6.366266367298619
],
[
0,
0,
8.417295697331223
],
[
0.8795201500000001,
1.3145384800000002,
2.018485517006353
],
[
0,
0,
4.476985693363803
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.63114249,
-0.46025769,
0
],
[
-0.46025769,
0.25118261,
0
],
[
0,
0,
-0.30379649
]
] | -34.487638 | -35.101638 | [
[
0,
0,
0.00059785
],
[
0,
0,
0.02129136
],
[
0,
0,
-0.02997822
],
[
0,
0,
0.00808901
]
] | pbe | true | 35 | agm004130317-pbe-17 | 17 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84447992,
0.00176734,
0
],
[
-1.0836581,
2.62997229,
0
],
[
0,
0,
8.50874071
]
] | agm004130317 | [
[
0.8804109099999999,
1.3158698149999999,
6.3648157763767745
],
[
0,
0,
8.415980971401792
],
[
0.8804109099999999,
1.3158698149999999,
2.013359498651975
],
[
0,
0,
4.477695528569457
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.99216634,
-0.66120071,
0
],
[
-0.66120071,
-1.53801217,
0
],
[
0,
0,
0.70513381
]
] | -34.487678 | -35.101678 | [
[
0,
0,
-0.01027751
],
[
0,
0,
-0.00487455
],
[
0,
0,
0.00150516
],
[
0,
0,
0.01364691
]
] | pbe | true | 35 | agm004130317-pbe-18 | 18 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84360528,
0.00174854,
0
],
[
-1.08334177,
2.62915665,
0
],
[
0,
0,
8.50964094
]
] | agm004130317 | [
[
0.8801317549999998,
1.315452595,
6.365270309835306
],
[
0,
0,
8.416392890254347
],
[
0.8801317549999998,
1.315452595,
2.0149660521254846
],
[
0,
0,
4.477473012688456
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.68579558,
-0.60319594,
0
],
[
-0.60319594,
-1.18375631,
0
],
[
0,
0,
0.13917207
]
] | -34.487696 | -35.101696 | [
[
0,
0,
-0.00743202
],
[
0,
0,
0.00175264
],
[
0,
0,
-0.00512828
],
[
0,
0,
0.01080766
]
] | pbe | true | 35 | agm004130317-pbe-19 | 19 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84173288,
0.00961118,
0
],
[
-1.07535953,
2.63042582,
0
],
[
0,
0,
8.43569517
]
] | agm004130317 | [
[
0.8831866749999999,
1.3200185,
6.365564271450473
],
[
0,
0,
8.320600232239554
],
[
0.8831866749999999,
1.3200185,
2.0841456250771593
],
[
0,
0,
4.318927796232815
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-22.15371732,
-0.39938999,
0
],
[
-0.39938999,
-22.48342865,
0
],
[
0,
0,
-13.99445673
]
] | -34.447596 | -35.061596 | [
[
0,
0,
-0.24659406
],
[
0,
0,
0.61642672
],
[
0,
0,
-0.50552776
],
[
0,
0,
0.1356951
]
] | pbe | true | 35 | agm004130317-pbe-2 | 2 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84324801,
0.00174086,
0
],
[
-1.08321256,
2.62882347,
0
],
[
0,
0,
8.51000867
]
] | agm004130317 | [
[
0.880017725,
1.315282165,
6.365456019328961
],
[
0,
0,
8.416561200895684
],
[
0.880017725,
1.315282165,
2.0156223600168106
],
[
0,
0,
4.477382094758544
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.41130313,
-0.58584035,
0
],
[
-0.58584035,
-0.89493618,
0
],
[
0,
0,
0.05325149
]
] | -34.487695 | -35.101695 | [
[
0,
0,
-0.00654651
],
[
0,
0,
0.00494773
],
[
0,
0,
-0.00825041
],
[
0,
0,
0.0098492
]
] | pbe | true | 35 | agm004130317-pbe-20 | 20 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84296458,
0.00087545,
0
],
[
-1.08390436,
2.62823129,
0
],
[
0,
0,
8.50990755
]
] | agm004130317 | [
[
0.8795301099999999,
1.31455337,
6.365117510886751
],
[
0,
0,
8.416901834296219
],
[
0.8795301099999999,
1.31455337,
2.014639768340775
],
[
0,
0,
4.4781097614762535
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.79894264,
-0.07728571,
0
],
[
-0.07728571,
0.7351404,
0
],
[
0,
0,
1.3833124
]
] | -34.487716 | -35.101716 | [
[
0,
0,
-0.00719085
],
[
0,
0,
-0.00590515
],
[
0,
0,
0.00333955
],
[
0,
0,
0.00975645
]
] | pbe | true | 35 | agm004130317-pbe-21 | 21 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84300301,
0.00099278,
0
],
[
-1.08381057,
2.62831157,
0
],
[
0,
0,
8.50992126
]
] | agm004130317 | [
[
0.8795962199999999,
1.314652175,
6.3651634220642475
],
[
0,
0,
8.416855654810876
],
[
0.8795962199999999,
1.314652175,
2.0147729605506703
],
[
0,
0,
4.478011112574206
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.80033933,
-0.14318708,
0
],
[
-0.14318708,
0.68213305,
0
],
[
0,
0,
1.34979434
]
] | -34.487717 | -35.101717 | [
[
0,
0,
-0.00827072
],
[
0,
0,
-0.00981081
],
[
0,
0,
0.00535678
],
[
0,
0,
0.01272475
]
] | pbe | true | 35 | agm004130317-pbe-22 | 22 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84313772,
0.00059774,
0
],
[
-1.08422712,
2.62828537,
0
],
[
0,
0,
8.51113962
]
] | agm004130317 | [
[
0.8794553,
1.314441555,
6.365876834456142
],
[
0,
0,
8.418130822457998
],
[
0.8794553,
1.314441555,
2.0147321183187095
],
[
0,
0,
4.479109274767151
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.72686134,
0.04154406,
0
],
[
0.04154406,
0.76115752,
0
],
[
0,
0,
1.21933855
]
] | -34.487729 | -35.101729 | [
[
0,
0,
-0.00732762
],
[
0,
0,
-0.00838434
],
[
0,
0,
0.00282137
],
[
0,
0,
0.0128906
]
] | pbe | true | 35 | agm004130317-pbe-23 | 23 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84354187,
-0.00058738,
0
],
[
-1.08547679,
2.62820677,
0
],
[
0,
0,
8.5147947
]
] | agm004130317 | [
[
0.8790325400000001,
1.313809695,
6.36801681685733
],
[
0,
0,
8.421956445870801
],
[
0.8790325400000001,
1.313809695,
2.014609281406488
],
[
0,
0,
4.48240420586538
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.59112933,
0.54353131,
0
],
[
0.54353131,
1.03983469,
0
],
[
0,
0,
0.90532526
]
] | -34.487746 | -35.101746 | [
[
0,
0,
-0.0039732
],
[
0,
0,
-0.01146536
],
[
0,
0,
0.00261409
],
[
0,
0,
0.01282448
]
] | pbe | true | 35 | agm004130317-pbe-24 | 24 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84386939,
-0.00041159,
0
],
[
-1.08543926,
2.62857659,
0
],
[
0,
0,
8.51644184
]
] | agm004130317 | [
[
0.879215065,
1.3140825,
6.369130636650481
],
[
0,
0,
8.423399883226837
],
[
0.879215065,
1.3140825,
2.0149656971559193
],
[
0,
0,
4.4836083829667635
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.4168372,
0.35464271,
0
],
[
0.35464271,
-0.12406642,
0
],
[
0,
0,
-0.16941543
]
] | -34.48776 | -35.10176 | [
[
0,
0,
0.00292807
],
[
0,
0,
-0.00488234
],
[
0,
0,
-0.00704255
],
[
0,
0,
0.00899682
]
] | pbe | true | 35 | agm004130317-pbe-25 | 25 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84389,
-0.00040053,
0
],
[
-1.0854369,
2.62859986,
0
],
[
0,
0,
8.5165455
]
] | agm004130317 | [
[
0.87922655,
1.314099665,
6.369200750721
],
[
0,
0,
8.42349065791062
],
[
0.87922655,
1.314099665,
2.014988178843495
],
[
0,
0,
4.483684162524885
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.30974666,
0.42186578,
0
],
[
0.42186578,
0.03851927,
0
],
[
0,
0,
0.01806603
]
] | -34.487761 | -35.101761 | [
[
0,
0,
-0.00052779
],
[
0,
0,
-0.0070497
],
[
0,
0,
-0.00636187
],
[
0,
0,
0.01393936
]
] | pbe | true | 35 | agm004130317-pbe-26 | 26 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84393122,
-0.0003784,
0
],
[
-1.08543218,
2.62864641,
0
],
[
0,
0,
8.51675282
]
] | agm004130317 | [
[
0.87924952,
1.314134005,
6.369340978320934
],
[
0,
0,
8.423672376754938
],
[
0.87924952,
1.314134005,
2.0150330569018484
],
[
0,
0,
4.483835723189809
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.41064622,
0.35056004,
0
],
[
0.35056004,
-0.12124584,
0
],
[
0,
0,
-0.17454509
]
] | -34.487761 | -35.101761 | [
[
0,
0,
0.00449335
],
[
0,
0,
-0.00604598
],
[
0,
0,
-0.00834283
],
[
0,
0,
0.00989546
]
] | pbe | true | 35 | agm004130317-pbe-27 | 27 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84394571,
-0.00037063,
0
],
[
-1.08543052,
2.62866276,
0
],
[
0,
0,
8.51682567
]
] | agm004130317 | [
[
0.8792575949999999,
1.314146065,
6.369390179508959
],
[
0,
0,
8.423736169249102
],
[
0.8792575949999999,
1.314146065,
2.015048759920967
],
[
0,
0,
4.483888981152714
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.38380026,
0.39836215,
0
],
[
0.39836215,
-0.05493746,
0
],
[
0,
0,
-0.07680188
]
] | -34.487761 | -35.101761 | [
[
0,
0,
-0.00175378
],
[
0,
0,
-0.00691532
],
[
0,
0,
-0.00760137
],
[
0,
0,
0.01627047
]
] | pbe | true | 35 | agm004130317-pbe-28 | 28 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84397468,
-0.00035508,
0
],
[
-1.0854272,
2.62869547,
0
],
[
0,
0,
8.51697136
]
] | agm004130317 | [
[
0.87927374,
1.314170195,
6.369488744474851
],
[
0,
0,
8.423863914262194
],
[
0.87927374,
1.314170195,
2.0150803338539967
],
[
0,
0,
4.483995492578672
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.58155346,
0.26942789,
0
],
[
0.26942789,
-0.35913069,
0
],
[
0,
0,
-0.45189257
]
] | -34.487761 | -35.101761 | [
[
0,
0,
0.00636761
],
[
0,
0,
-0.00270347
],
[
0,
0,
-0.00937441
],
[
0,
0,
0.00571028
]
] | pbe | true | 35 | agm004130317-pbe-29 | 29 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.82501089,
0.01306042,
0
],
[
-1.06579107,
2.61628487,
0
],
[
0,
0,
8.44558864
]
] | agm004130317 | [
[
0.8796099100000001,
1.314672645,
6.353070411022311
],
[
0,
0,
8.368493759746851
],
[
0.8796099100000001,
1.314672645,
2.061124117973309
],
[
0,
0,
4.33128331125753
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
13.84492139,
-4.60264766,
0
],
[
-4.60264766,
10.04526415,
0
],
[
0,
0,
4.21662861
]
] | -34.470993 | -35.084993 | [
[
0,
0,
-0.09339521
],
[
0,
0,
-0.08120347
],
[
0,
0,
-0.01811335
],
[
0,
0,
0.19271203
]
] | pbe | true | 35 | agm004130317-pbe-3 | 3 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84396178,
-0.000362,
0
],
[
-1.08542867,
2.62868091,
0
],
[
0,
0,
8.51690649
]
] | agm004130317 | [
[
0.879266555,
1.314159455,
6.36944483002865
],
[
0,
0,
8.423806992790903
],
[
0.879266555,
1.314159455,
2.015066263415235
],
[
0,
0,
4.483948053596149
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.36815952,
0.38733227,
0
],
[
0.38733227,
-0.04840228,
0
],
[
0,
0,
-0.06278208
]
] | -34.487761 | -35.101761 | [
[
0,
0,
-0.00015061
],
[
0,
0,
-0.00644083
],
[
0,
0,
-0.00917658
],
[
0,
0,
0.01576802
]
] | pbe | true | 35 | agm004130317-pbe-30 | 30 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84396882,
-0.00035822,
0
],
[
-1.08542787,
2.62868886,
0
],
[
0,
0,
8.5169419
]
] | agm004130317 | [
[
0.8792704750000001,
1.31416532,
6.3694688418012735
],
[
0,
0,
8.42383809792596
],
[
0.8792704750000001,
1.31416532,
2.015073959925305
],
[
0,
0,
4.4839739355168815
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.42140293,
0.30850204,
0
],
[
0.30850204,
-0.16672299,
0
],
[
0,
0,
-0.23434593
]
] | -34.487761 | -35.101761 | [
[
0,
0,
0.00286973
],
[
0,
0,
-0.00224719
],
[
0,
0,
-0.00907201
],
[
0,
0,
0.00844947
]
] | pbe | true | 35 | agm004130317-pbe-31 | 31 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84383346,
-0.0001476,
0
],
[
-1.08518153,
2.6286441,
0
],
[
0,
0,
8.51701218
]
] | agm004130317 | [
[
0.8793259649999999,
1.31424825,
6.369543545540269
],
[
0,
0,
8.423815625921568
],
[
0.8793259649999999,
1.31424825,
2.0149115602926475
],
[
0,
0,
4.484259803415638
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.43726319,
0.17837236,
0
],
[
0.17837236,
-0.29001015,
0
],
[
0,
0,
-0.32107684
]
] | -34.487768 | -35.101768 | [
[
0,
0,
0.0021227
],
[
0,
0,
-0.0021501
],
[
0,
0,
-0.00830525
],
[
0,
0,
0.00833265
]
] | pbe | true | 35 | agm004130317-pbe-32 | 32 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84342736,
0.00048428,
0
],
[
-1.08444251,
2.62850981,
0
],
[
0,
0,
8.51722302
]
] | agm004130317 | [
[
0.8794924250000001,
1.314497045,
6.369767658949991
],
[
0,
0,
8.423748200800103
],
[
0.8794924250000001,
1.314497045,
2.0144243436672475
],
[
0,
0,
4.485117346582657
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.04372696,
-0.12947468,
0
],
[
-0.12947468,
-0.06315922,
0
],
[
0,
0,
-0.00619644
]
] | -34.487782 | -35.101782 | [
[
0,
0,
-0.00140709
],
[
0,
0,
-0.00345881
],
[
0,
0,
-0.00424947
],
[
0,
0,
0.00911537
]
] | pbe | true | 35 | agm004130317-pbe-33 | 33 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84261517,
0.00174804,
0
],
[
-1.08296446,
2.62824124,
0
],
[
0,
0,
8.51764469
]
] | agm004130317 | [
[
0.8798253550000001,
1.3149946399999999,
6.370215888157902
],
[
0,
0,
8.423613384856722
],
[
0.8798253550000001,
1.3149946399999999,
2.0134499134556143
],
[
0,
0,
4.486832538529759
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.87440846,
-0.68278809,
0
],
[
-0.68278809,
0.31074144,
0
],
[
0,
0,
0.54430505
]
] | -34.487782 | -35.101782 | [
[
0,
0,
-0.00615229
],
[
0,
0,
-0.0053638
],
[
0,
0,
0.00418204
],
[
0,
0,
0.00733405
]
] | pbe | true | 35 | agm004130317-pbe-34 | 34 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84311477,
0.00097068,
0
],
[
-1.08387364,
2.62840645,
0
],
[
0,
0,
8.51738531
]
] | agm004130317 | [
[
0.8796205650000001,
1.314688565,
6.369940134933222
],
[
0,
0,
8.42369628611018
],
[
0.8796205650000001,
1.314688565,
2.0140492932956824
],
[
0,
0,
4.485777560660915
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.50928447,
-0.27240669,
0
],
[
-0.27240669,
0.28440259,
0
],
[
0,
0,
0.3863093
]
] | -34.487787 | -35.101787 | [
[
0,
0,
-0.00650948
],
[
0,
0,
-0.00184945
],
[
0,
0,
0.00133432
],
[
0,
0,
0.00702461
]
] | pbe | true | 35 | agm004130317-pbe-35 | 35 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84316282,
0.00109914,
0
],
[
-1.08377323,
2.62849988,
0
],
[
0,
0,
8.51791559
]
] | agm004130317 | [
[
0.8796947949999999,
1.31479951,
6.3702713857127655
],
[
0,
0,
8.424092623717579
],
[
0.8796947949999999,
1.31479951,
2.0139935090057155
],
[
0,
0,
4.486431456563939
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.1915376,
-0.38910148,
0
],
[
-0.38910148,
-0.12968018,
0
],
[
0,
0,
0.05179876
]
] | -34.48779 | -35.10179 | [
[
0,
0,
-0.00374885
],
[
0,
0,
-0.00161177
],
[
0,
0,
-0.00335347
],
[
0,
0,
0.00871409
]
] | pbe | true | 35 | agm004130317-pbe-36 | 36 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84329208,
0.00144468,
0
],
[
-1.08350315,
2.6287512,
0
],
[
0,
0,
8.51934192
]
] | agm004130317 | [
[
0.8798944649999999,
1.31509794,
6.371162422591018
],
[
0,
0,
8.42515855043234
],
[
0.8798944649999999,
1.31509794,
2.013843361857912
],
[
0,
0,
4.488190379925312
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.36302945,
-0.57506185,
0
],
[
-0.57506185,
-0.83776445,
0
],
[
0,
0,
-0.52406269
]
] | -34.487793 | -35.101793 | [
[
0,
0,
0.00106437
],
[
0,
0,
0.00140957
],
[
0,
0,
-0.00842555
],
[
0,
0,
0.00595161
]
] | pbe | true | 35 | agm004130317-pbe-37 | 37 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84324089,
0.00130784,
0
],
[
-1.08361011,
2.62865167,
0
],
[
0,
0,
8.51877706
]
] | agm004130317 | [
[
0.8798153900000001,
1.314979755,
6.370809592267447
],
[
0,
0,
8.424736405903706
],
[
0.8798153900000001,
1.314979755,
2.0139027878119498
],
[
0,
0,
4.487493864016896
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.14902607,
-0.47989188,
0
],
[
-0.47989188,
-0.54519471,
0
],
[
0,
0,
-0.26786759
]
] | -34.487793 | -35.101793 | [
[
0,
0,
-0.00226655
],
[
0,
0,
0.00066751
],
[
0,
0,
-0.00311343
],
[
0,
0,
0.00471247
]
] | pbe | true | 35 | agm004130317-pbe-38 | 38 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84320186,
0.00120349,
0
],
[
-1.08369167,
2.62857578,
0
],
[
0,
0,
8.51834632
]
] | agm004130317 | [
[
0.879755095,
1.314889635,
6.370540445340393
],
[
0,
0,
8.424414515129358
],
[
0.879755095,
1.314889635,
2.0139481546698095
],
[
0,
0,
4.486962684860436
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.17806837,
-0.42666245,
0
],
[
-0.42666245,
-0.17415739,
0
],
[
0,
0,
0.08378517
]
] | -34.487792 | -35.101792 | [
[
0,
0,
-0.0013316
],
[
0,
0,
-0.00229128
],
[
0,
0,
-0.00497426
],
[
0,
0,
0.00859715
]
] | pbe | true | 35 | agm004130317-pbe-39 | 39 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.82639086,
0.01277577,
0
],
[
-1.0665807,
2.61745184,
0
],
[
0,
0,
8.44477219
]
] | agm004130317 | [
[
0.87990508,
1.3151138050000002,
6.35410129008525
],
[
0,
0,
8.364541702883963
],
[
0.87990508,
1.3151138050000002,
2.0630237291373525
],
[
0,
0,
4.330263752893433
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
10.7155674,
-4.2727426,
0
],
[
-4.2727426,
7.18825909,
0
],
[
0,
0,
2.49733523
]
] | -34.471214 | -35.085214 | [
[
0,
0,
-0.09571022
],
[
0,
0,
-0.03010981
],
[
0,
0,
-0.06101867
],
[
0,
0,
0.1868387
]
] | pbe | true | 35 | agm004130317-pbe-4 | 4 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84322908,
0.00127626,
0
],
[
-1.08363479,
2.62862871,
0
],
[
0,
0,
8.51864672
]
] | agm004130317 | [
[
0.879797145,
1.314952485,
6.370728131909098
],
[
0,
0,
8.424639023748506
],
[
0.879797145,
1.314952485,
2.0139165269807453
],
[
0,
0,
4.487333117361651
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.01337934,
-0.47442752,
0
],
[
-0.47442752,
-0.40503694,
0
],
[
0,
0,
-0.19827945
]
] | -34.487793 | -35.101793 | [
[
0,
0,
0.00329119
],
[
0,
0,
-0.00493269
],
[
0,
0,
-0.00851868
],
[
0,
0,
0.01016018
]
] | pbe | true | 35 | agm004130317-pbe-40 | 40 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84323711,
0.00129773,
0
],
[
-1.08361801,
2.62864432,
0
],
[
0,
0,
8.51873531
]
] | agm004130317 | [
[
0.87980955,
1.314971025,
6.370783480564471
],
[
0,
0,
8.424705254086161
],
[
0.87980955,
1.314971025,
2.013907229274146
],
[
0,
0,
4.487442396262576
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.08755517,
-0.46543184,
0
],
[
-0.46543184,
-0.47178651,
0
],
[
0,
0,
-0.22567567
]
] | -34.487793 | -35.101793 | [
[
0,
0,
-0.00062714
],
[
0,
0,
-0.0009372
],
[
0,
0,
-0.00503701
],
[
0,
0,
0.00660135
]
] | pbe | true | 35 | agm004130317-pbe-41 | 41 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.8432474,
0.0012185,
0
],
[
-1.08369517,
2.6286236,
0
],
[
0,
0,
8.51898377
]
] | agm004130317 | [
[
0.8797761150000001,
1.31492105,
6.370889981015525
],
[
0,
0,
8.424800185564498
],
[
0.8797761150000001,
1.31492105,
2.0136919969809655
],
[
0,
0,
4.488077261439012
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.01293471,
-0.41557619,
0
],
[
-0.41557619,
-0.33013893,
0
],
[
0,
0,
-0.06490639
]
] | -34.4878 | -35.1018 | [
[
0,
0,
-0.00179581
],
[
0,
0,
-0.00044127
],
[
0,
0,
-0.00604912
],
[
0,
0,
0.00828619
]
] | pbe | true | 35 | agm004130317-pbe-42 | 42 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84327827,
0.00098082,
0
],
[
-1.08392665,
2.62856145,
0
],
[
0,
0,
8.51972916
]
] | agm004130317 | [
[
0.87967581,
1.314771135,
6.37120946208892
],
[
0,
0,
8.425084851918227
],
[
0.87967581,
1.314771135,
2.013046462170421
],
[
0,
0,
4.489982123822434
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.20373121,
-0.27792156,
0
],
[
-0.27792156,
-0.0257034,
0
],
[
0,
0,
0.34032055
]
] | -34.487816 | -35.101816 | [
[
0,
0,
-0.00385771
],
[
0,
0,
0.00059877
],
[
0,
0,
-0.00253752
],
[
0,
0,
0.00579646
]
] | pbe | true | 35 | agm004130317-pbe-43 | 43 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84334001,
0.00050545,
0
],
[
-1.08438961,
2.62843715,
0
],
[
0,
0,
8.52121992
]
] | agm004130317 | [
[
0.8794752,
1.3144713,
6.371848369580204
],
[
0,
0,
8.425654182960603
],
[
0.8794752,
1.3144713,
2.0117549564703863
],
[
0,
0,
4.493792290988808
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.5807092,
0.00096871,
0
],
[
0.00096871,
0.5815089,
0
],
[
0,
0,
1.18653117
]
] | -34.487826 | -35.101826 | [
[
0,
0,
-0.00211734
],
[
0,
0,
0.01139505
],
[
0,
0,
-0.006833
],
[
0,
0,
-0.00244471
]
] | pbe | true | 35 | agm004130317-pbe-44 | 44 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84340529,
0.000446,
0
],
[
-1.08446948,
2.62847481,
0
],
[
0,
0,
8.52175907
]
] | agm004130317 | [
[
0.879467905,
1.3144604050000002,
6.372184459466631
],
[
0,
0,
8.426113828813994
],
[
0.879467905,
1.3144604050000002,
2.011652326077958
],
[
0,
0,
4.4944470606414155
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.3987722,
0.05816326,
0
],
[
0.05816326,
0.44678814,
0
],
[
0,
0,
1.02771644
]
] | -34.487829 | -35.101829 | [
[
0,
0,
-0.00304854
],
[
0,
0,
0.01017277
],
[
0,
0,
-0.0037107
],
[
0,
0,
-0.00341352
]
] | pbe | true | 35 | agm004130317-pbe-45 | 45 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84348611,
0.00037239,
0
],
[
-1.08456835,
2.62852143,
0
],
[
0,
0,
8.52242655
]
] | agm004130317 | [
[
0.87945888,
1.31444691,
6.372600477041502
],
[
0,
0,
8.42668296818507
],
[
0.87945888,
1.31444691,
2.0115252428205497
],
[
0,
0,
4.495257686952879
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.31941374,
0.08250414,
0
],
[
0.08250414,
0.38752398,
0
],
[
0,
0,
0.9534626
]
] | -34.487831 | -35.101831 | [
[
0,
0,
-0.00188648
],
[
0,
0,
0.00833337
],
[
0,
0,
-0.00396097
],
[
0,
0,
-0.00248592
]
] | pbe | true | 35 | agm004130317-pbe-46 | 46 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84364775,
0.00022517,
0
],
[
-1.08476611,
2.62861467,
0
],
[
0,
0,
8.52376149
]
] | agm004130317 | [
[
0.8794408200000001,
1.3144199200000002,
6.3734326286643865
],
[
0,
0,
8.427821013985081
],
[
0.8794408200000001,
1.3144199200000002,
2.01127093782353
],
[
0,
0,
4.496879144527002
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.02805905,
0.14009152,
0
],
[
0.14009152,
0.08759172,
0
],
[
0,
0,
0.66988404
]
] | -34.487834 | -35.101834 | [
[
0,
0,
0.00036109
],
[
0,
0,
0.01049961
],
[
0,
0,
-0.00622274
],
[
0,
0,
-0.00463796
]
] | pbe | true | 35 | agm004130317-pbe-47 | 47 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84368082,
0.00019505,
0
],
[
-1.08480656,
2.62863375,
0
],
[
0,
0,
8.52403458
]
] | agm004130317 | [
[
0.8794371299999999,
1.3144144,
6.373602899325321
],
[
0,
0,
8.428053865388854
],
[
0.8794371299999999,
1.3144144,
2.0112189379613814
],
[
0,
0,
4.49721083256479
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.12705664,
0.13076389,
0
],
[
0.13076389,
0.23500711,
0
],
[
0,
0,
0.81989273
]
] | -34.487834 | -35.101834 | [
[
0,
0,
0.00111272
],
[
0,
0,
0.00824723
],
[
0,
0,
-0.00635469
],
[
0,
0,
-0.00300525
]
] | pbe | true | 35 | agm004130317-pbe-48 | 48 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84374695,
0.00013482,
0
],
[
-1.08488747,
2.62867189,
0
],
[
0,
0,
8.52458075
]
] | agm004130317 | [
[
0.87942974,
1.314403355,
6.373943341402858
],
[
0,
0,
8.428519465919246
],
[
0.87942974,
1.314403355,
2.0111149134954327
],
[
0,
0,
4.497874239428273
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.06803799,
0.17219494,
0
],
[
0.17219494,
0.21019133,
0
],
[
0,
0,
0.77700941
]
] | -34.487835 | -35.101835 | [
[
0,
0,
-0.00173518
],
[
0,
0,
0.01347555
],
[
0,
0,
-0.00686199
],
[
0,
0,
-0.00487837
]
] | pbe | true | 35 | agm004130317-pbe-49 | 49 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.8358966,
0.0083894,
0
],
[
-1.0742621,
2.62456489,
0
],
[
0,
0,
8.45558711
]
] | agm004130317 | [
[
0.8808172499999999,
1.316477145,
6.354219567811985
],
[
0,
0,
8.381373352050112
],
[
0.8808172499999999,
1.316477145,
2.058074006070233
],
[
0,
0,
4.34530084906767
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.62859712,
-3.11302068,
0
],
[
-3.11302068,
-1.9413175,
0
],
[
0,
0,
-4.3345521
]
] | -34.474978 | -35.088978 | [
[
0,
0,
-0.03836338
],
[
0,
0,
-0.07550393
],
[
0,
0,
-0.07027888
],
[
0,
0,
0.18414619
]
] | pbe | true | 35 | agm004130317-pbe-5 | 5 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84387922,
0.00001436,
0
],
[
-1.08504928,
2.62874819,
0
],
[
0,
0,
8.52567309
]
] | agm004130317 | [
[
0.8794149699999999,
1.3143812750000001,
6.374624199440082
],
[
0,
0,
8.429450723628372
],
[
0.8794149699999999,
1.3143812750000001,
2.0109066897786176
],
[
0,
0,
4.499201112152928
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.11737156,
0.23015415,
0
],
[
0.23015415,
0.07262927,
0
],
[
0,
0,
0.61855197
]
] | -34.487835 | -35.101835 | [
[
0,
0,
-0.00324767
],
[
0,
0,
0.01475788
],
[
0,
0,
-0.00549017
],
[
0,
0,
-0.00602004
]
] | pbe | true | 35 | agm004130317-pbe-50 | 50 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84380965,
0.00007772,
0
],
[
-1.08496418,
2.62870806,
0
],
[
0,
0,
8.52509857
]
] | agm004130317 | [
[
0.8794227349999999,
1.3143928900000001,
6.374266072615635
],
[
0,
0,
8.428960948175124
],
[
0.8794227349999999,
1.3143928900000001,
2.011016192032152
],
[
0,
0,
4.49850321217709
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.04937573,
0.17375085,
0
],
[
0.17375085,
0.09406207,
0
],
[
0,
0,
0.69118475
]
] | -34.487836 | -35.101836 | [
[
0,
0,
-0.00052921
],
[
0,
0,
0.0153529
],
[
0,
0,
-0.00698363
],
[
0,
0,
-0.00784006
]
] | pbe | true | 35 | agm004130317-pbe-51 | 51 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84377281,
0.00011127,
0
],
[
-1.0849191,
2.62868681,
0
],
[
0,
0,
8.52479429
]
] | agm004130317 | [
[
0.879426855,
1.31439904,
6.374076410766245
],
[
0,
0,
8.428701530043977
],
[
0.879426855,
1.31439904,
2.011074161696638
],
[
0,
0,
4.4981336224931425
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.25154247,
0.18556198,
0
],
[
0.18556198,
0.40473081,
0
],
[
0,
0,
0.97482269
]
] | -34.487835 | -35.101835 | [
[
0,
0,
-0.00613754
],
[
0,
0,
0.0153257
],
[
0,
0,
-0.0025558
],
[
0,
0,
-0.00663236
]
] | pbe | true | 35 | agm004130317-pbe-52 | 52 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84382398,
0.00015207,
0
],
[
-1.08490091,
2.62874968,
0
],
[
0,
0,
8.52539494
]
] | agm004130317 | [
[
0.8794615349999999,
1.314450875,
6.374481702421941
],
[
0,
0,
8.42941169581406
],
[
0.8794615349999999,
1.314450875,
2.011203327998809
],
[
0,
0,
4.498390623765189
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.05407309,
0.10546236,
0
],
[
0.10546236,
0.03299002,
0
],
[
0,
0,
0.50965092
]
] | -34.487839 | -35.101839 | [
[
0,
0,
0.00192401
],
[
0,
0,
0.00751077
],
[
0,
0,
-0.00662585
],
[
0,
0,
-0.00280892
]
] | pbe | true | 35 | agm004130317-pbe-53 | 53 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.8438619,
0.0001823,
0
],
[
-1.08488744,
2.62879626,
0
],
[
0,
0,
8.52584
]
] | agm004130317 | [
[
0.87948723,
1.31448928,
6.3747819073672005
],
[
0,
0,
8.429937941344
],
[
0.87948723,
1.31448928,
2.0112990277584
],
[
0,
0,
4.4985811235304
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.37670795,
0.09467826,
0
],
[
0.09467826,
-0.29854751,
0
],
[
0,
0,
0.1775855
]
] | -34.48784 | -35.10184 | [
[
0,
0,
0.00595506
],
[
0,
0,
0.00931328
],
[
0,
0,
-0.00945111
],
[
0,
0,
-0.00581722
]
] | pbe | true | 35 | agm004130317-pbe-54 | 54 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84393773,
0.00024276,
0
],
[
-1.08486048,
2.62888942,
0
],
[
0,
0,
8.52673013
]
] | agm004130317 | [
[
0.879538625,
1.31456609,
6.375382485068482
],
[
0,
0,
8.430990469288936
],
[
0.879538625,
1.31456609,
2.0114904267259304
],
[
0,
0,
4.498961943916651
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.42742355,
-0.01418919,
0
],
[
-0.01418919,
-0.43913726,
0
],
[
0,
0,
-0.1522237
]
] | -34.487842 | -35.101842 | [
[
0,
0,
0.00139289
],
[
0,
0,
0.01237875
],
[
0,
0,
-0.01075186
],
[
0,
0,
-0.00301978
]
] | pbe | true | 35 | agm004130317-pbe-55 | 55 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84384222,
0.00026609,
0
],
[
-1.08480248,
2.62881003,
0
],
[
0,
0,
8.52699832
]
] | agm004130317 | [
[
0.87951987,
1.31453806,
6.375568342607457
],
[
0,
0,
8.431467714451562
],
[
0.87951987,
1.31453806,
2.011429455475623
],
[
0,
0,
4.499030287465359
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.26824732,
-0.02193372,
0
],
[
-0.02193372,
-0.28635443,
0
],
[
0,
0,
-0.07153164
]
] | -34.487846 | -35.101846 | [
[
0,
0,
0.00387114
],
[
0,
0,
0.00594926
],
[
0,
0,
-0.00660649
],
[
0,
0,
-0.00321391
]
] | pbe | true | 35 | agm004130317-pbe-56 | 56 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84371868,
0.00029625,
0
],
[
-1.08472746,
2.62870735,
0
],
[
0,
0,
8.52734521
]
] | agm004130317 | [
[
0.8794956099999999,
1.3145018,
6.375808608228598
],
[
0,
0,
8.432085128104212
],
[
0.8794956099999999,
1.3145018,
2.0113505427305385
],
[
0,
0,
4.499118745936651
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.06922257,
-0.07411489,
0
],
[
-0.07411489,
0.00803796,
0
],
[
0,
0,
0.02771288
]
] | -34.487849 | -35.101849 | [
[
0,
0,
0.0019973
],
[
0,
0,
0.00190331
],
[
0,
0,
-0.00555346
],
[
0,
0,
0.00165285
]
] | pbe | true | 35 | agm004130317-pbe-57 | 57 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84366729,
0.0003088,
0
],
[
-1.08469625,
2.62866464,
0
],
[
0,
0,
8.52748952
]
] | agm004130317 | [
[
0.87948552,
1.31448672,
6.375908576771167
],
[
0,
0,
8.43234192380822
],
[
0.87948552,
1.31448672,
2.0113177257076464
],
[
0,
0,
4.499155573712967
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.00698326,
-0.06799046,
0
],
[
-0.06799046,
-0.0491454,
0
],
[
0,
0,
0.00671711
]
] | -34.487849 | -35.101849 | [
[
0,
0,
0.00248125
],
[
0,
0,
0.00230555
],
[
0,
0,
-0.00553415
],
[
0,
0,
0.00074735
]
] | pbe | true | 35 | agm004130317-pbe-58 | 58 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.8435645,
0.0003339,
0
],
[
-1.08463383,
2.62857921,
0
],
[
0,
0,
8.52777813
]
] | agm004130317 | [
[
0.8794653349999999,
1.314456555,
6.376108590851966
],
[
0,
0,
8.432855602190532
],
[
0.8794653349999999,
1.314456555,
2.0112519972372667
],
[
0,
0,
4.499229134720235
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.30347682,
-0.10723081,
0
],
[
-0.10723081,
0.21495379,
0
],
[
0,
0,
0.09892741
]
] | -34.487848 | -35.101848 | [
[
0,
0,
0.00497078
],
[
0,
0,
-0.00564149
],
[
0,
0,
-0.00160123
],
[
0,
0,
0.00227193
]
] | pbe | true | 35 | agm004130317-pbe-59 | 59 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84454095,
0.00440051,
0
],
[
-1.08124742,
2.63103337,
0
],
[
0,
0,
8.46542199
]
] | agm004130317 | [
[
0.8816467649999999,
1.31771694,
6.354318524956816
],
[
0,
0,
8.396686234264216
],
[
0.8816467649999999,
1.31771694,
2.0535648383193528
],
[
0,
0,
4.358985292805395
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-8.02841034,
-2.14388406,
0
],
[
-2.14388406,
-9.79826656,
0
],
[
0,
0,
-10.10495309
]
] | -34.475674 | -35.089674 | [
[
0,
0,
0.02164355
],
[
0,
0,
-0.11459325
],
[
0,
0,
-0.08943794
],
[
0,
0,
0.18238765
]
] | pbe | true | 35 | agm004130317-pbe-6 | 6 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.8436287,
0.00031823,
0
],
[
-1.08467282,
2.62863257,
0
],
[
0,
0,
8.52759787
]
] | agm004130317 | [
[
0.87947794,
1.3144754,
6.375983704812283
],
[
0,
0,
8.4325347672246
],
[
0.87947794,
1.3144754,
2.011293053892739
],
[
0,
0,
4.499183149070377
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.30984947,
-0.08113751,
0
],
[
-0.08113751,
0.24286743,
0
],
[
0,
0,
0.21218472
]
] | -34.487849 | -35.101849 | [
[
0,
0,
-0.00207313
],
[
0,
0,
0.00293402
],
[
0,
0,
-0.00168645
],
[
0,
0,
0.00082556
]
] | pbe | true | 35 | agm004130317-pbe-60 | 60 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.8436287,
0.00031823,
0
],
[
-1.08467282,
2.62863257,
0
],
[
0,
0,
8.52759787
]
] | agm004130317 | [
[
0.87947794,
1.3144754,
6.375983704812283
],
[
0,
0,
8.4325347672246
],
[
0.87947794,
1.3144754,
2.011293053892739
],
[
0,
0,
4.499183149070377
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.02852286,
-0.05935418,
0
],
[
-0.05935418,
-0.02047622,
0
],
[
0,
0,
-0.04827174
]
] | -34.495569 | -35.109569 | [
[
0,
0,
-0.00059632
],
[
0,
0,
-0.00408597
],
[
0,
0,
0.00274833
],
[
0,
0,
0.00193396
]
] | pbe | true | 35 | agm004130317-pbe-61 | 61 | 1 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84625071,
0.00049936,
0
],
[
-1.0855058,
2.63112533,
0
],
[
0,
0,
8.45624841
]
] | agm004130317 | [
[
0.880372455,
1.315812345,
6.342860777873182
],
[
0,
0,
8.389232810475718
],
[
0.880372455,
1.315812345,
2.044945378933286
],
[
0,
0,
4.3635820577178155
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-5.1366289,
-0.17108683,
0
],
[
-0.17108683,
-5.27786746,
0
],
[
0,
0,
-3.68293947
]
] | -34.477789 | -35.091789 | [
[
0,
0,
0.03005061
],
[
0,
0,
-0.16793421
],
[
0,
0,
-0.03375744
],
[
0,
0,
0.17164104
]
] | pbe | true | 35 | agm004130317-pbe-7 | 7 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84869136,
-0.00506944,
0
],
[
-1.09158454,
2.63125661,
0
],
[
0,
0,
8.44315333
]
] | agm004130317 | [
[
0.8785534100000001,
1.3130935849999998,
6.326515158715309
],
[
0,
0,
8.37858954966389
],
[
0.8785534100000001,
1.3130935849999998,
2.032655476015713
],
[
0,
0,
4.370123140605088
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.74131529,
2.7682652,
0
],
[
2.7682652,
1.54399084,
0
],
[
0,
0,
6.236748
]
] | -34.478767 | -35.092767 | [
[
0,
0,
0.04464011
],
[
0,
0,
-0.24671863
],
[
0,
0,
0.05383906
],
[
0,
0,
0.14823946
]
] | pbe | true | 35 | agm004130317-pbe-8 | 8 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.84944071,
-0.00603144,
0
],
[
-1.09275967,
2.63158223,
0
],
[
0,
0,
8.44905574
]
] | agm004130317 | [
[
0.8783405200000001,
1.3127753949999998,
6.328682063338518
],
[
0,
0,
8.37967665675322
],
[
0.8783405200000001,
1.3127753949999998,
2.03071364899752
],
[
0,
0,
4.3835670654013
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"W",
"Cl"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-2.37741601,
3.2497309,
0
],
[
3.2497309,
0.305358,
0
],
[
0,
0,
4.91052084
]
] | -34.481041 | -35.095041 | [
[
0,
0,
0.03957925
],
[
0,
0,
-0.19537936
],
[
0,
0,
0.02992978
],
[
0,
0,
0.12587033
]
] | pbe | true | 35 | agm004130317-pbe-9 | 9 | 0 |
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