elements listlengths 1 9 | nsites int32 1 444 | chemical_formula_anonymous stringlengths 1 18 | chemical_formula_reduced stringlengths 1 23 | chemical_formula_descriptive stringlengths 2 34 | nelements int8 1 9 | dimension_types listlengths 3 3 | nperiodic_dimensions int8 3 3 | lattice_vectors listlengths 3 3 | immutable_id stringlengths 4 13 ⌀ | cartesian_site_positions listlengths 1 444 | species stringlengths 138 1.25k | species_at_sites listlengths 1 444 | last_modified stringlengths 19 19 | elements_ratios listlengths 1 9 | stress_tensor listlengths 0 3 | energy float64 -2,749.01 5.19k | magnetic_moments listlengths 0 444 | forces listlengths 0 444 | total_magnetization float64 -340.3 383 ⌀ | dos_ef float64 -14.23 392 ⌀ | functional stringclasses 1
value | cross_compatibility bool 1
class | entalpic_fingerprint stringlengths 37 62 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Ag",
"Al",
"Pb"
] | 3 | ABC | AgAlPb | Al1 Ag1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.38473441,
3.38473441
],
[
3.38473441,
0,
3.38473441
],
[
3.38473441,
3.38473441,
0
]
] | agm003032185 | [
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3.38473441,
3.38473441,
3.38473441
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[
1.692367205,
1.692367205,
1.692367205
],
[
5.077101615,
5.077101615,
5.077101615
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ag", "attached"... | [
"Pb",
"Al",
"Ag"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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0
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[
0,
4.0963645,
0
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[
0,
0,
4.0963645
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] | -9.253399 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0.835498 | pbe | true | 27b95d8fe428cb4c7e7705eb91b528a5_216_Al1Ag1Pb1 |
[
"Ag",
"Al",
"Th"
] | 19 | A12B6C | Ag12Al6Th | Th1 Al6 Ag12 | 3 | [
1,
1,
1
] | 3 | [
[
7.45470289,
-0.03568786,
-0.05025818
],
[
-1.88248793,
7.21318987,
-0.05025818
],
[
-1.88248793,
-2.42480969,
6.79359492
]
] | agm003685264 | [
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[
3.4834609069276836,
4.487003437939713,... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ag", "attached"... | [
"Th",
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"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.631578947368421,
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0.05263157894736842
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[
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0,
0,
0,
0,
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[
0.00093998,
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... | -0.000001 | 4.211877 | pbe | true | 19cd7ab4e042b7d50eb22fc2bee98afd_166_Th1Al6Ag12 |
[
"Ag",
"Al",
"Te"
] | 4 | A2BC | Ag2AlTe | Al1 Ag2 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
4.69475087,
-0.10994268,
0.24101705
],
[
3.46690566,
3.16754453,
0.24101705
],
[
2.2478419,
0.84210914,
6.15133672
]
] | agm004415562 | [
[
2.013836794226357,
0.754443793012104,
1.46788980757416
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[
5.7274915321317925,
2.14569047909789,
3.8727569090042437
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[
10.270255950840637,
3.84754657206528,
6.375504642599846
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[
8.012161797801213,
3.001596630824726,
4.867275690821749
]
] | [{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ag", "attached"... | [
"Te",
"Al",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.300598,
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[
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[
0.05185182,
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2.1493359
]
] | -12.375215 | [
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0,
0,
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[
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[
0.00309285,
0.00115867,
-0.00020306
],
[
-0.00254127,
-0.00095204,
0.0010434
]
] | 0 | 1.072549 | pbe | true | 15909b102fb072447f564d39c208679a_8_Al1Ag2Te1 |
[
"Ag",
"Al",
"Zn"
] | 8 | A2BC | AgAlZn2 | Al2 Zn4 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
3.95950152,
0,
0
],
[
0,
3.95950152,
0
],
[
1.97975076,
1.97975076,
9.12373412
]
] | agm002787692 | [
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2.945797067952336,
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2.28093353
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[
1.013704452047664,
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2.28093353
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[
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6.8428005899999995
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[
1.97975076,
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0
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[
... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ag", "attached"... | [
"Zn",
"Zn",
"Zn",
"Zn",
"Al",
"Al",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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[
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0,
0
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[
0,
5.5638576,
0
],
[
0,
0,
2.6972208
]
] | -17.257022 | [
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0,
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0,
0
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[
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0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.131643 | pbe | true | 3896817c649a86e9a65d67201faa45a5_122_Al2Zn4Ag2 |
[
"Ag",
"As",
"Hg"
] | 16 | A3B3C2 | Ag3As3Hg2 | Ag6 Hg4 As6 | 3 | [
1,
1,
1
] | 3 | [
[
5.83885682,
2e-8,
0
],
[
-9.4e-7,
6.61465696,
0
],
[
0,
0,
21.97579899
]
] | agm2000094889 | [
[
3.1218329684759567,
5.320762599816312,
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[
2.7170216998882637,
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12.537764035294773
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[
3.1218330268645347,
5.320762533669742,
9.438040668412967
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[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
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"Ag",
"Ag",
"Hg",
"Hg",
"Hg",
"Hg",
"As",
"As",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.375,
0.375,
0.25
] | [
[
1.885058,
-2e-7,
0
],
[
-2e-7,
1.445408,
0
],
[
0,
0,
-0.09804407
]
] | -42.255625 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
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[
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[
0.00257643,
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[
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[
0.00749838,
-0.00483402,
0
],
[
-0.00749838,
-0.00483402,
... | 0 | 8.957008 | pbe | true | e04238b571daca4429fcbfe01dc6a139_26_Ag6Hg4As6 |
[
"Ag",
"Au",
"Br"
] | 4 | A2BC | AgAuBr2 | Ag1 Au1 Br2 | 3 | [
1,
1,
1
] | 3 | [
[
3.91929705,
0,
0
],
[
0,
4.12709898,
-0.06106938
],
[
0,
-0.26397616,
6.87343412
]
] | agm004397151 | [
[
1.959648525,
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5.109273555
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[
0,
4.024261530721606,
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[
0,
2.034398859278395,
3.40022377615288
],
[
1.959648525,
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1.703091185
]
] | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Au", "attached"... | [
"Au",
"Br",
"Br",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
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[
0,
2.6746612,
0.29392204
],
[
0,
0.29392204,
3.1108851
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] | -9.402826 | [
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],
[
0,
0.0004483,
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[
0,
0,
0
]
] | -0 | 0.818382 | pbe | true | b916b6825bc677550a4475571685f885_10_Ag1Au1Br2 |
[
"Ag",
"Au",
"Cd"
] | 18 | A4B3C2 | Ag4Au3Cd2 | Cd4 Ag8 Au6 | 3 | [
1,
1,
1
] | 3 | [
[
5.09277658,
0.10508283,
0.46640931
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[
0.66324007,
7.85681054,
2.76042463
],
[
0.32377416,
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8.33616335
]
] | agm005631616 | [
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1.646083844117767,
5.649499774180376,
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1.974478922422989,
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5.360125346530432
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[
4.1053118875770105,
3.5720032874915586,
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[
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ag", "attached"... | [
"Cd",
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"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.4444444444444444,
0.3333333333333333,
0.2222222222222222
] | [
[
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[
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[
-0.03370841,
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] | -47.168145 | [
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[
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[
-0.00000751,
0.00246513... | 0 | 5.860342 | pbe | true | c210a214e127551ff769a6309752f20b_15_Cd4Ag8Au6 |
[
"Ag",
"Au",
"Cd"
] | 20 | A3BC | Ag3AuCd | Cd4 Ag12 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
7.69263873,
0,
0
],
[
0,
8.20875822,
0
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[
0,
0,
6.22394009
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] | agm003705426 | [
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[
4.633800945040386,
5.340513682527441,
3.155978093... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ag", "attached"... | [
"Cd",
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"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.6,
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0.2
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8.007652,
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] | -50.821072 | [
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[
-0.00311044,
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[
-0.00311044,
0.001... | 0 | 4.567642 | pbe | true | c636faa1968123cd98da04f39b9665fa_62_Cd4Ag12Au4 |
[
"Ag",
"Au",
"Sb"
] | 17 | A10B6C | Ag6Au10Sb | Ag6 Sb1 Au10 | 3 | [
1,
1,
1
] | 3 | [
[
5.60801726,
0,
0
],
[
0,
7.04920085,
-4.06985791
],
[
0,
-1e-8,
8.13971677
]
] | agm006094251 | [
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3.831590195665399,
2.573757122039189,
1.4859596803060153
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3.831590195665399,
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5.167797756245624
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4.475443714309678,
5.555818193448361
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[
1.7764270643346012,
4.475443717960811,
2.5838991796939847
],
[... | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ag", "attached"... | [
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"Sb",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.35294117647058826,
0.5882352941176471,
0.058823529411764705
] | [
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0
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[
0,
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4.7e-7
],
[
0,
4.7e-7,
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] | -53.509916 | [
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] | [
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[
0.00285752,
0,
-0.00034519
],
[
0.00285752,
-0.00029894,
0.0001726
... | 0 | 4.053458 | pbe | true | 700d5e57d717ef1b7acd78d18c5cc195_162_Ag6Sb1Au10 |
[
"Ag",
"B",
"F"
] | 19 | A12B5C2 | Ag5B2F12 | Ag5 B2 F12 | 3 | [
1,
1,
1
] | 3 | [
[
6.87524293,
0.76388295,
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[
-2.63097089,
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],
[
-0.49726954,
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8.52347508
]
] | agm005687493 | [
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4.078059832593142
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[
0.7523027478130164,
3.2692686584687505,
0.6052264273342511
],
[
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4.26173754
],
[
2.994699752186983,
1.6926047615312498,
4.633836102665749
],
[
4.383321358962... | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ag", "attached": nu... | [
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"B",
"B",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.2631578947368421,
0.10526315789473684,
0.631578947368421
] | [
[
1.3771603,
0.01780669,
0.2351639
],
[
0.01780654,
1.1887896,
-0.32146734
],
[
0.23516372,
-0.32146746,
1.6072584
]
] | -84.854283 | [
0.03,
0.059,
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0.059,
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0,
0,
0.001,
0,
0.002,
0.088,
0.099,
0.002,
0.002,
0.088,
0.099,
0,
0.002,
0.001
] | [
[
0.00065134,
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[
0.00005645,
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],
[
... | 1.040908 | 0.672928 | pbe | true | ad9518f6209b3b09a43e7c7bb6fdc846_2_Ag5B2F12 |
[
"Ag",
"B",
"Br"
] | 9 | A6B2C | Ag2BBr6 | Ag2 B1 Br6 | 3 | [
1,
1,
1
] | 3 | [
[
6.71381255,
-2e-8,
0
],
[
-3.35690573,
5.81433239,
0
],
[
0,
0,
17.8071204
]
] | agm2000131169 | [
[
3.297642725769445e-7,
3.8762216060477748,
8.903559487715183
],
[
3.3569064230976022,
1.9381107639522253,
8.903559487715183
],
[
0,
0,
8.903560556142407
],
[
4.849014591097228,
-1.4444891200000001e-8,
10.307120457138467
],
[
0.9323990972590327,
... | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Ag",
"Ag",
"B",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.1111111111111111,
0.6666666666666666
] | [
[
0.3574441,
3e-8,
0
],
[
3e-8,
0.35744414,
0
],
[
0,
0,
-0.0766344
]
] | -22.703886 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
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[
0,
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0
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[
0,
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[
0,
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0
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[
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[
0.0016893,
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[
0.0016893,
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[
0.0033786,
0,
0.00129322
],
[
-0.0016893,
... | -0.000315 | 11.47825 | pbe | true | 2162acf79b38cdf546c60382c2645c78_162_Ag2B1Br6 |
[
"Ag",
"B",
"Pt"
] | 4 | A2BC | AgBPt2 | Ag1 B1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
2.76360307,
0,
0
],
[
0,
2.76360307,
0
],
[
0,
0,
7.22261373
]
] | agm001118640 | [
[
1.381801535,
1.381801535,
0
],
[
1.381801535,
1.381801535,
3.611306865
],
[
0,
0,
5.8737553695674976
],
[
0,
0,
1.3488583604325024
]
] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": ... | [
"B",
"Ag",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.4099593,
0,
0
],
[
0,
1.4099593,
0
],
[
0,
0,
1.59084
]
] | -21.575054 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00310519
],
[
0,
0,
0.00310519
]
] | -0.000001 | 0.539092 | pbe | true | e9b4a800dc13e498d0248496642539df_123_Ag1B1Pt2 |
[
"Ag",
"Ba",
"Pb"
] | 4 | A2BC | AgBa2Pb | Ba2 Ag1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
6.53326559,
0.00036074,
0
],
[
2.50393645,
6.03438991,
0
],
[
-4.51859807,
-3.01737335,
3.62784907
]
] | agm004199507 | [
[
4.51860102,
3.0173753249999997,
0
],
[
0,
0,
0
],
[
1.2519696999999996,
3.0171959425,
1.813924535
],
[
3.2666342700000004,
0.00018135749999981243,
1.813924535
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ag", "attached"... | [
"Pb",
"Ba",
"Ba",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.2753656,
0.06691423,
0.00000177
],
[
0.06691423,
2.219843,
0.00000118
],
[
0.00000177,
0.00000118,
2.1751661
]
] | -11.38285 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000008 | 3.003221 | pbe | true | f560679c7892e645ea1d7afb1c1c57e1_119_Ba2Ag1Pb1 |
[
"Ag",
"Ba",
"Na"
] | 8 | A2BC | AgBa2Na | Ba4 Na2 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
9.67108948,
0,
0
],
[
0,
9.67108948,
0
],
[
4.83554474,
4.83554474,
4.05254146
]
] | agm002866118 | [
[
4.83554474,
4.83554474,
0
],
[
4.83554474,
9.67108948,
2.02627073
],
[
7.703729147195618,
2.41777237,
1.013135365
],
[
1.9673603328043807,
7.253317109999999,
1.013135365
],
[
7.253317109999999,
6.80290507280438,
3.0394060949999995
],
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ag", "attached"... | [
"Na",
"Na",
"Ba",
"Ba",
"Ba",
"Ba",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.0573201,
0,
0
],
[
0,
1.0573201,
0
],
[
0,
0,
0.43891653
]
] | -15.573323 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
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[
0.00213813,
0,
0
],
[
-0.00213813,
0,
0
],
[
0,
-0.00213813,
0
],
[
0,
0.00213813,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 6.963087 | pbe | true | 525abb2ee95c34f4e8fd51baf92f2ed4_122_Ba4Na2Ag2 |
[
"Ag",
"Be",
"P"
] | 6 | ABC | AgBeP | Be2 Ag2 P2 | 3 | [
1,
1,
1
] | 3 | [
[
3.97942826,
-0.00021351,
0.00026121
],
[
0.00061228,
7.24729494,
-0.04193556
],
[
0.00005769,
1.9525445,
3.19108222
]
] | agm003045939 | [
[
0.5142405458895101,
7.796298040561977,
2.297258927420557
],
[
2.50289761189306,
6.814718008614697,
0.6891880253702343
],
[
0.5088430028366014,
3.832598931968605,
0.9814748235084297
],
[
2.498281375392073,
4.114020808350881,
3.0010989032976725
],
[
... | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Be",
"Be",
"Ag",
"Ag",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.462512,
-0.01433912,
0.00701635
],
[
-0.01433875,
2.0499299,
-0.16391246
],
[
0.00701624,
-0.16391192,
2.173884
]
] | -24.279053 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.00805723,
-0.00372577,
0.00130118
],
[
-0.00582308,
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0.00010767
],
[
0.00317126,
0.00261675,
-0.00050604
],
[
0.00395534,
0.00095537,
0.00062173
],
[
0.00391651,
-0.00133618,
0.00172395
],
[
0.00283721,
0.002017... | 0 | 0 | pbe | true | a3d2592fde8e5e10c911a3ccbf67f5ba_1_Be2Ag2P2 |
[
"Ag",
"Be",
"Mo"
] | 4 | A2BC | AgBe2Mo | Be2 Ag1 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
8.57981472,
-0.00337249,
-0.00197995
],
[
8.15545922,
2.66490467,
-0.00197995
],
[
8.15545922,
1.29702192,
2.32797228
]
] | agm003783097 | [
[
24.7135151224181,
3.9303698281766555,
2.307465783696381
],
[
6.391948987244606,
1.016558078373935,
0.596807192588333
],
[
12.67080195023012,
2.0151296744837,
1.18305477012566
],
[
18.4505670890145,
2.93432770855125,
1.7227032268297502
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ag", "attached"... | [
"Be",
"Be",
"Mo",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.8556737,
-0.02027496,
-0.01190315
],
[
-0.02027496,
1.9799348,
-0.00189304
],
[
-0.01190315,
-0.00189304,
1.9820479
]
] | -19.33479 | [
0,
0,
0,
0
] | [
[
0.00177116,
0.00028168,
0.00016537
],
[
0.00175756,
0.00027952,
0.0001641
],
[
-0.00268503,
-0.00042702,
-0.0002507
],
[
-0.00084369,
-0.00013418,
-0.00007877
]
] | 0.000163 | 2.028525 | pbe | true | 4a1a695dda21570f9b16f5f84d94baa1_160_Be2Ag1Mo1 |
[
"Ag",
"Bi",
"O"
] | 8 | A2BC | Ag2BiO | Ag4 Bi2 O2 | 3 | [
1,
1,
1
] | 3 | [
[
7.65049907,
0,
0
],
[
0,
7.65049907,
0
],
[
3.82524954,
3.82524954,
2.5514287
]
] | agm002873853 | [
[
3.825249535,
3.825249535,
0
],
[
3.8252495375000004,
7.6504990725,
1.27571435
],
[
0,
0,
0
],
[
7.6504990725,
3.8252495375000004,
1.27571435
],
[
5.19484616404088,
1.9126247687500002,
0.637857175
],
[
2.455652908459121,
5.7378... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ag", "attached": ... | [
"O",
"O",
"Bi",
"Bi",
"Ag",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-1.0655886,
0,
0
],
[
0,
-1.0655886,
0
],
[
0,
0,
0.4164325
]
] | -29.301769 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00590024,
0,
0
],
[
-0.00590024,
0,
0
],
[
0,
-0.00590024,
0
],
[
0,
0.00590024,
0
]
] | 0 | 4.187593 | pbe | true | c9a5c2a3c05e8eebe893727d0a82aa77_122_Ag4Bi2O2 |
[
"Ag",
"Br",
"Sr"
] | 4 | A2BC | AgBrSr2 | Sr2 Ag1 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
4.44532794,
0.00390582,
0.00174672
],
[
2.22604648,
3.84777685,
0.00182552
],
[
2.23578258,
1.29071072,
8.32830765
]
] | agm003166654 | [
[
2.230976845395791,
1.2879510479261769,
8.127579082342642
],
[
4.458384234604209,
2.5739563670738232,
4.366668512657358
],
[
6.68036775,
3.8567950425,
6.2489099175
],
[
2.22678925,
1.2855983475,
2.0829699725
]
] | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ag", "attached"... | [
"Sr",
"Sr",
"Ag",
"Br"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.0307386,
-0.14138027,
-0.17032748
],
[
-0.14138034,
1.1983081,
-0.10064326
],
[
-0.17032744,
-0.10064322,
1.1386234
]
] | -11.405289 | [
0,
0,
0,
0
] | [
[
0.000317,
0.00013131,
0.00381652
],
[
-0.000317,
-0.00013131,
-0.00381652
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 1.200148 | pbe | true | b0e5cac3da1411300e28f9e0e8319fec_166_Sr2Ag1Br1 |
[
"Ag",
"Ca",
"Er"
] | 7 | A4B2C | Ag4CaEr2 | Ca1 Er2 Ag4 | 3 | [
1,
1,
1
] | 3 | [
[
5.90188913,
0.32800512,
-1.87656758
],
[
-2.84697504,
4.94135885,
-2.43702604
],
[
0.18898036,
-0.32800509,
6.19016016
]
] | agm006010863 | [
[
0,
0,
0
],
[
2.950944565,
0.16400256,
-0.93828379
],
[
1.621947225,
2.4706794400000005,
0.9382832699999999
],
[
0.09449018,
-0.164002545,
3.09508008
],
[
-1.42348752,
2.470679425,
-1.21851302
],
[
1.527457045,
2.63468198500000... | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ca",
"Ag",
"Ag",
"Ag",
"Ag",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.14285714285714285,
0.2857142857142857
] | [
[
3.7667398,
-0.04761409,
-0.03873608
],
[
-0.04761409,
3.821948,
0.06723106
],
[
-0.03873608,
0.06723106,
3.794002
]
] | -23.157526 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000017 | 5.406427 | pbe | true | 692977e4732cee39f97c24f1448e91f8_139_Ca1Er2Ag4 |
[
"Ag",
"Ca",
"Li"
] | 12 | A3B2C | Ag3Ca2Li | Li2 Ca4 Ag6 | 3 | [
1,
1,
1
] | 3 | [
[
5.96897344,
-0.63786767,
0
],
[
-0.86920985,
5.9396964,
0
],
[
-2.54988179,
-2.65091436,
8.1899795
]
] | agm003433669 | [
[
2.5498792467912534,
2.6509117157586832,
2.74044592830279
],
[
0.0000025532087468388033,
0.00000265424131712075,
5.449533571697209
],
[
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[
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[
2.98448... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ag", "attached"... | [
"Li",
"Li",
"Ca",
"Ca",
"Ca",
"Ca",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5,
0.3333333333333333,
0.16666666666666666
] | [
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[
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[
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[
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0.00... | -0 | 4.173625 | pbe | true | c13517575bd22b64a3e7c069049e4968_69_Li2Ca4Ag6 |
[
"Ag",
"Ca",
"Re"
] | 4 | A2BC | AgCaRe2 | Ca1 Re2 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
5.15262137,
-0.00509528,
-0.0192333
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[
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[
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] | agm004375198 | [
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] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ag", "attached"... | [
"Re",
"Re",
"Ca",
"Ag"
] | 2023-11-16 06:57:59 | [
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[
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] | -27.12708 | [
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[
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] | 0.000001 | 3.011436 | pbe | true | 42728ad8fda214ed45277ca4dee79fef_12_Ca1Re2Ag1 |
[
"Ag",
"Cl",
"Sc"
] | 3 | ABC | AgClSc | Sc1 Ag1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
2.32056248,
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[
2.32056248,
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] | agm004174277 | [
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[
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[
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Cl",
"Sc"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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] | -12.053964 | [
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[
0,
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[
0,
0,
0
]
] | 0.933246 | 2.749063 | pbe | true | c1a1903a602404bd4c5240602f5748e7_216_Sc1Ag1Cl1 |
[
"Ag",
"Cd",
"Ga"
] | 14 | A8B5C | Ag8Cd5Ga | Cd5 Ga1 Ag8 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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0.00360625
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[
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] | agm003681410 | [
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[
2.727462901075... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Ga", "attached"... | [
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"Ag",
"Ag",
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] | 2023-11-16 06:57:59 | [
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[
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[
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0.000... | -0.000002 | 5.448462 | pbe | true | 8706a64cccc39ba6ba8cecad77e4b206_82_Cd5Ga1Ag8 |
[
"Ag",
"Cd",
"Er"
] | 6 | A4BC | AgCdEr4 | Er4 Cd1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
5.01454781,
0.00008132,
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[
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[
0.00244414,
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]
] | agm003740148 | [
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[
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[
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Ag", "attached"... | [
"Er",
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"Er",
"Cd",
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] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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[
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0.000711... | 0.000132 | 6.81912 | pbe | true | 745f515305ad0573955997fe977ef19b_123_Er4Cd1Ag1 |
[
"Ag",
"Cd",
"Hg"
] | 4 | A2BC | AgCd2Hg | Cd2 Ag1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
4.44607791,
0,
0
],
[
0,
4.44021875,
0
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[
0,
0,
4.28645929
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] | agm003166851 | [
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[
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[
0,
0,
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ag", "attached"... | [
"Hg",
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"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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[
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[
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] | -4.901251 | [
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[
0,
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[
0,
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[
0,
0,
0
]
] | 0 | 1.485393 | pbe | true | 7e2d325511ad73d0f65194729fcb6cb0_123_Cd2Ag1Hg1 |
[
"Ag",
"Cl",
"Tl"
] | 16 | A4B3C | Ag3Cl4Tl | Tl2 Ag6 Cl8 | 3 | [
1,
1,
1
] | 3 | [
[
7.55321115,
0,
0
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[
0,
7.55321115,
0
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[
0,
0,
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[
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[
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5.664... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ag", "attached"... | [
"Tl",
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"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
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"Cl",
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] | 2023-11-16 06:57:59 | [
0.375,
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[
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[
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[
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[
0,
0,
0
],... | 0.000002 | -0.063499 | pbe | true | 593ad8eeae06db8563fcd8d4b4b48cb8_223_Tl2Ag6Cl8 |
[
"Ag",
"Co",
"Cu"
] | 4 | A2BC | AgCo2Cu | Co2 Cu1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
4.45941734,
0.00493905,
-0.0183571
],
[
3.689163,
2.50529514,
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[
0.7665793,
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4.68422552
]
] | agm004090338 | [
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[
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Co",
"Co",
"Cu"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
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[
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] | -19.909507 | [
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1.662,
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0.025
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[
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[
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[
-0.00032229,
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0.00704297
]
] | 3.188815 | 3.575995 | pbe | true | aab226a92bee75c259525a2b5d350df9_8_Co2Cu1Ag1 |
[
"Ag",
"I",
"Rb"
] | 80 | A12B5C3 | Ag3I12Rb5 | Rb20 Ag12 I48 | 3 | [
1,
1,
1
] | 3 | [
[
18.36211223,
0,
0
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[
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[
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] | agm001256402 | [
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[
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[
13.77158417125,
0,
3.748150... | [{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ag", "attached": ... | [
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"I",
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"I",... | 2023-11-16 06:57:59 | [
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] | [
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[
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] | -177.645559 | [
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[
0,
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[
0,
0,
0
],... | -0.154602 | 99.20434 | pbe | true | d12a931897310bbf598873c6a0c77e3d_230_Rb20Ag12I48 |
[
"Ag",
"Cr",
"Re"
] | 4 | A2BC | AgCr2Re | Cr2 Re1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
3.96994996,
0,
0
],
[
0,
2.66124664,
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[
0,
1.81968101,
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] | agm004396489 | [
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[
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Cr",
"Cr",
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] | 2023-11-16 06:57:59 | [
0.25,
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0.25
] | [
[
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[
0,
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],
[
0,
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]
] | -32.609489 | [
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] | [
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[
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[
0,
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],
[
0,
0.00093833,
0.01322263
]
] | 0.010035 | 3.863071 | pbe | true | 8ef5cd430132e18787918f4e46960eb5_6_Cr2Re1Ag1 |
[
"Ag",
"Dy",
"F"
] | 11 | A8B2C | Ag2DyF8 | Dy1 Ag2 F8 | 3 | [
1,
1,
1
] | 3 | [
[
4.19658572,
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0.000... | 1.12245 | 13.551511 | pbe | true | 8520d7351afe1a9fba3d48fdc4dfd5c6_147_Dy1Ag2F8 |
[
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1,
1,
1
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"Sm",
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0.001... | 0 | 2.966285 | pbe | true | 1e4c987d22e8c3d69117a524ff346d6b_65_Sm1Dy1Ag4 |
[
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1
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0.00230238... | 0 | -0.036931 | pbe | true | cabf673dac5e91ead54d9521c3b42e04_1_Dy2Ag2Te4 |
[
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1,
1,
1
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... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ag", "attached"... | [
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[
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-0.000505... | 0.000101 | 21.041012 | pbe | true | 87d32cfdcbea48004d80cfdee15501a6_12_Dy12Tl5Ag2 |
[
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1,
1,
1
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... | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ag", "attached": ... | [
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[
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0.00118... | 2.046677 | 5.170184 | pbe | true | 93e3dc88cb37602fbbd31b6acac20cc7_8_Mg1Ag3F7 |
[
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1,
1,
1
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] | 2.8949 | 2.754615 | pbe | true | d3504a63a3878eec184c4d9c5cb84acb_160_Fe1Ag2Hg1 |
[
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1,
1,
1
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3.11146175,
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ag", "attached"... | [
"Os",
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] | 0.00047 | 5.833778 | pbe | true | e7b00b2de260667410e525b672e6f7ff_225_Fe1Ag2Os1 |
[
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1,
1,
1
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... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Ga", "attached"... | [
"Li",
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] | 2023-11-16 06:57:59 | [
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[... | 0 | 2.123487 | pbe | true | 902a09e107ec4ec3658de14c1c1b84f2_71_Li1Ga2Ag4 |
[
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] | 11 | A8B2C | AgGa2Tm8 | Tm8 Ga2 Ag1 | 3 | [
1,
1,
1
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[
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[
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... | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Ga", "attached"... | [
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"Tm",
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"Tm",
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"Ga",
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] | 2023-11-16 06:57:59 | [
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[
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[
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... | -0.00004 | 11.293123 | pbe | true | f080d76dcbd9d1f78a33b09dd69a1a7f_12_Tm8Ga2Ag1 |
[
"Ag",
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"La"
] | 5 | A3BC | Ag3GeLa | La1 Ag3 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.5717995,
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[
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] | agm002483914 | [
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ge",
"Ag",
"Ag",
"Ag",
"La"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
2.8021703,
0,
0
],
[
0,
2.8021703,
0
],
[
0,
0,
2.8021703
]
] | -12.370938 | [
-0.001,
0,
-0.001,
0.001,
0.001
] | [
[
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000196 | 5.835003 | pbe | true | 46242b2b7668dc4974968e0a99fc86fd_221_La1Ag3Ge1 |
[
"Ag",
"Ge",
"Pb"
] | 8 | A2BC | AgGe2Pb | Ag2 Ge4 Pb2 | 3 | [
1,
1,
1
] | 3 | [
[
4.36035358,
0,
0
],
[
0,
4.36035358,
0
],
[
2.18017679,
2.18017679,
9.87115881
]
] | agm002832712 | [
[
0,
0,
0
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[
4.36035358,
2.18017679,
4.935579405
],
[
2.95254148086293,
1.090088395,
2.4677897025
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[
1.40781209913707,
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2.4677897025
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[
3.270265185,
3.58798888913707,
7.4033691075000005
],
[
5.45044197499999... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ag", "attached"... | [
"Pb",
"Pb",
"Ge",
"Ge",
"Ge",
"Ge",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.747146,
0,
0
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[
0,
5.747146,
0
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[
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] | -29.515264 | [
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[
0,
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[
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[
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[
0.00209748,
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[
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[
0,
-0.00209748,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 4.994661 | pbe | true | b0faacfa406c01f3c1858fabaa86a526_122_Ag2Ge4Pb2 |
[
"Ag",
"H",
"Mo"
] | 8 | A2BC | AgH2Mo | Ag2 Mo2 H4 | 3 | [
1,
1,
1
] | 3 | [
[
5.16610995,
0,
0
],
[
0,
5.16610995,
0
],
[
2.58305498,
2.58305498,
3.00690071
]
] | agm002838143 | [
[
3.627777915203988,
1.29152748875,
0.7517251775
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[
1.5383320372960114,
3.87458246375,
0.7517251775
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[
3.87458246625,
4.121387014796012,
2.2551755325
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[
6.45763744125,
6.210832892703988,
2.2551755325
],
[
2.583054975,
2.583054975,
0
... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ag", "attached": ... | [
"H",
"H",
"H",
"H",
"Mo",
"Mo",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
11.66347,
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[
0,
11.66347,
0
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[
0,
0,
16.310392
]
] | -37.909189 | [
0,
0,
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0,
0,
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[
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[
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[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 4.694214 | pbe | true | bfca6864f2df898395455bf625ea6b49_122_Ag2Mo2H4 |
[
"Ag",
"Hg",
"I"
] | 3 | ABC | AgHgI | Ag1 Hg1 I1 | 3 | [
1,
1,
1
] | 3 | [
[
5.12164639,
0,
0
],
[
2.56082319,
4.43547588,
0
],
[
2.56082319,
1.47849196,
4.18180676
]
] | agm001238107 | [
[
0,
0,
0
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[
5.121646385,
2.95698392,
2.09090338
],
[
2.5608231925,
1.47849196,
1.04545169
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ag", "attached": ... | [
"I",
"Hg",
"Ag"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
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3.2908258,
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0
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[
0,
3.2908258,
0
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[
0,
0,
3.2908258
]
] | -4.741644 | [
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0 | -0.034155 | pbe | true | ace3da517363210861c2bdff8caf3255_216_Ag1Hg1I1 |
[
"Ag",
"Hg",
"Ho"
] | 9 | A4B3C2 | Ag4Hg2Ho3 | Ho3 Ag4 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
4.79070177,
0,
0
],
[
-2.39535089,
5.33143073,
-0.73240196
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[
0,
-3.44104726,
8.42597993
]
] | agm003339296 | [
[
2.395350883351865,
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5.395970966612914
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[
0,
0,
0
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[
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2.297607003387086
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[
2.3953532780650812,
2.2343226384269403,
0.16224982976798852
],
[
-0.0000023980650809634055,
-0.343939... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ho",
"Ho",
"Ho",
"Ag",
"Ag",
"Ag",
"Ag",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.4444444444444444,
0.2222222222222222,
0.3333333333333333
] | [
[
3.490556,
0,
0
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[
0,
3.5116308,
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],
[
0,
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3.5187228
]
] | -28.538098 | [
0,
0,
0,
0,
0,
0,
0,
0,
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] | [
[
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[
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[
0,
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[
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[
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[
0,
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-0.00060266
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[
0,
0.00049557,
0.00060266
],
[... | -0.000164 | 5.582813 | pbe | true | 09eaf47660d203d830fd44f3e8770193_12_Ho3Ag4Hg2 |
[
"Ag",
"Hg",
"Ni"
] | 4 | A2BC | AgHg2Ni | Ni1 Ag1 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
4.68869847,
0,
0
],
[
2.34434924,
4.06053199,
0
],
[
2.34434924,
1.35351066,
3.82830627
]
] | agm004232225 | [
[
4.688698475,
2.7070213250000004,
1.914153135
],
[
0,
0,
0
],
[
2.3443492375,
1.3535106625000002,
0.9570765675
],
[
7.0330477125,
4.0605319875,
2.8712297025
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Hg",
"Hg",
"Ni"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0,
0
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[
0,
-2.9524288,
0
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[
0,
0,
-2.9524288
]
] | -7.994943 | [
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000201 | 2.576273 | pbe | true | 55f036d611ee64972abc7a40da051987_216_Ni1Ag1Hg2 |
[
"Ag",
"Ho",
"Sm"
] | 4 | A2BC | AgHoSm2 | Sm2 Ho1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
3.61817368,
0,
0
],
[
1.80908684,
3.13343032,
0
],
[
1.80908684,
1.04447677,
10.53115723
]
] | agm005116532 | [
[
1.8090868219091316,
1.0444767603135738,
8.135292737593497
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[
1.8090868580908683,
1.0444767830187252,
2.3991319945602547
],
[
3.6181736619091316,
2.0889535345515116,
5.277333808634843
],
[
5.427258729004029,
3.1334292826394194,
10.516124003054175
]
] | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ag", "attached"... | [
"Sm",
"Sm",
"Ho",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.060109,
0,
0
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[
0,
1.060109,
0
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[
0,
0,
1.116858
]
] | -16.868741 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00157147
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[
0,
0,
-0.00062273
],
[
0,
0,
0.00308726
],
[
0,
0,
-0.004036
]
] | 0.00056 | 4.977053 | pbe | true | 41a04944a45b0633af89cc3a5f3c3ec6_160_Sm2Ho1Ag1 |
[
"Ag",
"Ho",
"Tb"
] | 4 | A2BC | AgHoTb2 | Tb2 Ho1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
3.54849742,
0,
0
],
[
1.77424871,
3.07308891,
0
],
[
1.77424871,
1.02436297,
10.49888134
]
] | agm001951004 | [
[
1.7742504665062229,
1.0243639841193404,
2.3758861383830334
],
[
5.3227443734937765,
3.0730878958806596,
8.122995201616966
],
[
3.54849742,
2.04872594,
5.24944067
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ag", "attached"... | [
"Tb",
"Tb",
"Ho",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.91081184,
0,
0
],
[
0,
0.91081184,
0
],
[
0,
0,
1.0156821
]
] | -16.771202 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
0.00312188
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000015 | 4.071497 | pbe | true | 70c6f70b3529d1503309bd5a4ce30453_166_Tb2Ho1Ag1 |
[
"Ag",
"I",
"Li"
] | 15 | A8B6C | AgI8Li6 | Li6 Ag1 I8 | 3 | [
1,
1,
1
] | 3 | [
[
8.15841515,
0.84887005,
-0.61770749
],
[
-0.72624483,
8.17024178,
-0.61771062
],
[
0.69950705,
0.84887313,
8.15180878
]
] | agm006054504 | [
[
4.958070460417329,
4.272065916541279,
0.6864175278615136
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[
1.1983511958903719,
5.683246080829404,
3.0933541341481385
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[
3.9117022182597716,
2.26259710662132,
4.783661792367882
],
[
3.1736069095826713,
5.595919043458721,
6.229973142138486
],
[
... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Li",
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"Li",
"Li",
"Li",
"Ag",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.06666666666666667,
0.5333333333333333,
0.4
] | [
[
0.5381489,
0.08607701,
0.06033109
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[
0.08607749,
0.5716738,
0.07321262
],
[
0.06033041,
0.07321317,
0.5185316
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] | -40.154172 | [
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0,
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0.094,
0.237,
0.237,
0.022,
0.022,
0.022,
0.022,
0.022,
0.022
] | [
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0.00174283,
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[
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0.00094069,
-0.00382537
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[
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0.00212645
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[
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0.00253133
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[
0.0031865,
-0.00094069,
0.00382537
],
[
0.00352988,
0.002947... | 1.064123 | 9.412989 | pbe | true | e77377adf4b9b217fd372d4d287a96c8_148_Li6Ag1I8 |
[
"Ag",
"In",
"Pd"
] | 16 | A4B3C | AgIn3Pd4 | In6 Ag2 Pd8 | 3 | [
1,
1,
1
] | 3 | [
[
4.72703761,
0,
0
],
[
0,
6.26654161,
0
],
[
0,
0,
9.47154315
]
] | agm005942559 | [
[
2.363518805,
4.726734086782819,
0
],
[
2.363518805,
4.726734086782819,
4.735771575
],
[
2.363518805,
1.5398075232171808,
0
],
[
2.363518805,
1.5398075232171808,
4.735771575
],
[
0.0363559771511427,
4.733629977166712,
7.1036573625
],
[... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ag", "attached"... | [
"Pd",
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"Pd",
"Pd",
"Pd",
"Pd",
"Ag",
"Ag",
"In",
"In",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.125,
0.375,
0.5
] | [
[
6.7952514,
0,
0
],
[
0,
7.1954947,
0
],
[
0,
0,
7.147082
]
] | -70.685458 | [
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0,
0,
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0,
0,
0,
0,
0,
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0,
0,
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] | [
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[
0,
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[
0,
0.00116323,
0
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[
0,
0.00116323,
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[
0.00130597,
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[
-0.00130597,
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0
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[
-0.00130597,
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0
],
[
0.00130597,
... | 0 | 5.375733 | pbe | true | 518336b0388bbc25282570482fa474d4_51_In6Ag2Pd8 |
[
"Ag",
"K",
"Mg"
] | 8 | A2BC | AgK2Mg | K4 Mg2 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
12.23201228,
0,
0
],
[
0,
12.23201228,
0
],
[
6.11600614,
6.11600614,
2.67873101
]
] | agm002850366 | [
[
11.033637144123489,
3.05800307,
0.6696827525
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[
13.43038741587651,
9.17400921,
0.6696827525
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[
9.17400921,
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[
15.290015350000001,
4.917631004123487,
2.0090482575
],
[
6.11600614,
6.11600614,
0
],
... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ag", "attached": ... | [
"K",
"K",
"K",
"K",
"Mg",
"Mg",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.9985834,
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0
],
[
0,
0.9985834,
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],
[
0,
0,
1.5317143
]
] | -12.048076 | [
0,
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] | [
[
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[
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[
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[
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[
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] | 0 | 5.887302 | pbe | true | b60a93b95a6772d85bd908b0abd1eeb6_122_K4Mg2Ag2 |
[
"Ag",
"Li",
"Nb"
] | 5 | A3BC | AgLi3Nb | Li3 Nb1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.50721379,
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] | agm002507756 | [
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] | 0.000397 | 4.86115 | pbe | true | 60819c1cec32dd8e021b2710dfb15c42_221_Li3Nb1Ag1 |
[
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1,
1,
1
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[
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1,
1,
1
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0
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[
0,
3.71671302,
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] | 0.000057 | 7.020746 | pbe | true | 2faeb9b657abc8f1ce55d051b1c071ae_123_Nd2Lu1Ag1 |
[
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1,
1,
1
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0.0007... | -0.000005 | 3.717312 | pbe | true | 2055f9e24c8d346f445e4181605bd0ea_166_Nd1Mg3Ag4 |
[
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1,
1,
1
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[
3.05324411,
0,
0
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[
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] | -0.000002 | 1.043375 | pbe | true | f12c2b31234510698721da3cf670e601_156_Mg1Si1Ag1 |
[
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1,
1,
1
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[
4.775241,
0,
0
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[
0,
4.775241,
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] | -0.75269 | 3.719779 | pbe | true | 639c4580e12e5e6652832d8d9768d7ad_221_Mn1Ag1Os3 |
[
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1,
1,
1
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[
4.65663572,
0,
0
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[
0,
4.65663572,
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[
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[
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] | -0.00001 | 4.59122 | pbe | true | e9fbdf5b27ebda262bb7fef789c2db5d_221_Zn1Ag3Mo1 |
[
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1,
1,
1
] | 3 | [
[
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-0.01345709,
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[
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[
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
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] | 2023-11-16 06:57:59 | [
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[
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] | 0 | 4.458986 | pbe | true | 70d93fb9ac25603ed5be942cb49b41a6_166_Tc2Ag1Mo1 |
[
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1,
1,
1
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13.73932647,
0,
0
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[
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[
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... | [{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ag", "attached": ... | [
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[
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0.0031498... | 0.033831 | 87.727585 | pbe | true | 7566fed39f00f8752cf05aff2e56468b_230_Sm48Ag12N20 |
[
"Ag",
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"Tl"
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1,
1,
1
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[
3.02088601806... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ag", "attached"... | [
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[
... | 0.000003 | 4.454495 | pbe | true | cab9a1013cfaf4b25e25f23399df1522_82_Na5Tl8Ag1 |
[
"Ag",
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"Zn"
] | 18 | A6B2C | Ag2Nd6Zn | Nd12 Zn2 Ag4 | 3 | [
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1,
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0.0000744... | -0.000064 | 19.781054 | pbe | true | 70067fb387d5ff6508e61e47e7ba6915_71_Nd12Zn2Ag4 |
[
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1,
1,
1
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3.074277465... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ag", "attached": ... | [
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[
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[
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1,
1,
1
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[
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1,
1,
1
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[
0,
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3.56725489,
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] | 0 | 2.553464 | pbe | true | 1c7fb0efb649247ab5143cdb34cae6a3_225_Ag1Pd1Pb2 |
[
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1,
1,
1
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0
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[
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... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ag", "attached"... | [
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] | -0.000003 | 3.000599 | pbe | true | f057372ffc0ada01a43f60638118e1e2_186_Th2Ag2Pb2 |
[
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1,
1,
1
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0,
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[
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[
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] | 2023-11-16 06:57:59 | [
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0.001... | 0 | 6.045497 | pbe | true | e36d2c87d2ae7edf4caed20c21561a43_140_Rb2Ag18Sn8 |
[
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1,
1,
1
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[
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... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ag", "attached"... | [
"Sb",
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[
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... | 0 | 3.17004 | pbe | true | c5ffb6d91b9d95c016285c4f32993e17_127_Ag4Sn4Sb2 |
[
"Ag",
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1,
1,
1
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[
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] | agm003702813 | [
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[
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ag", "attached"... | [
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[
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[
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0.00205414,... | -0.000004 | 7.317087 | pbe | true | 5d75fe9ef90d26d69b051fca1200bd30_148_Tl12Ag1Sb7 |
[
"Ag",
"Sm",
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] | 9 | A4B3C2 | Ag4Sm3Sn2 | Sm3 Ag4 Sn2 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
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] | agm005604324 | [
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[
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2.28037665451... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ag", "attached"... | [
"Sm",
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] | 2023-11-16 06:57:59 | [
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[
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] | -37.730963 | [
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[
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[
0... | 0.000025 | 4.667334 | pbe | true | 6be4fc5095ff6aba62508fd1b87b73a6_12_Sm3Ag4Sn2 |
[
"Ag",
"Sn",
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] | 6 | ABC | AgSnYb | Yb2 Ag2 Sn2 | 3 | [
1,
1,
1
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5.187... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Yb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Yb"]}, {"mass": null, "name": "Ag", "attached"... | [
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] | 0 | 3.010508 | pbe | true | ed61b70a1c5a14b4a160cdd0aab92811_186_Yb2Ag2Sn2 |
[
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1,
1
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[
"Al",
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1,
1,
1
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0.... | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Au", "attached"... | [
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... | 0 | 3.482429 | pbe | true | 7102e73a73e43bb9110834c1b05ec220_12_Ca1Al2Au8 |
[
"Al",
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] | 8 | A2BC | AlAu2Zn | Al2 Zn2 Au4 | 3 | [
1,
1,
1
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0,
0
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[
0,
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[
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9.07844824... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Au", "attached"... | [
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[
0,
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] | 0 | 2.538648 | pbe | true | a96cbc3aabcd0bfe5e87fc983b382d9c_122_Al2Zn2Au4 |
[
"Al",
"B",
"Hf"
] | 6 | A4BC | AlB4Hf | Al1 B4 Hf1 | 3 | [
1,
1,
1
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[
3.049477316,
0,
0
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[
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0
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[
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] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Hf", "attached": ... | [
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[
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] | -0.008108 | null | pbe | true | db6e9d6e8703e6e9dd401cddb28afc04_191_Hf1Al1B4 |
[
"Al",
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] | 10 | A2B2C | AlB2Fe2 | Al2 Fe4 B4 | 3 | [
1,
1,
1
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[
5.58602496,
0,
0
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[
0,
5.58602496,
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[
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[
... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "B", "attached":... | [
"B",
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] | 2023-11-16 06:57:59 | [
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[
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-0.007... | 5.77431 | 2.482767 | pbe | true | 699b5da24091cb79eb11c4ef8c0a53d5_127_Al2Fe4B4 |
[
"Al",
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"Pd"
] | 8 | A2BC | AlBPd2 | Al2 B2 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.39328719,
0
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[
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[
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... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pd", "attached": ... | [
"B",
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[
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] | 0 | 2.302294 | pbe | true | 26daee37d3d5d4cc92e905a8bd64f60c_122_Al2B2Pd4 |
[
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] | 6 | ABC | AlBSe | Al2 B2 Se2 | 3 | [
1,
1,
1
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[
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[
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[
... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "B", "attached":... | [
"B",
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[
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[
0.0009941,
0.00034... | 0 | 0.426142 | pbe | true | 8ae47a1a842dbcb6d990d45acd7ce10d_2_Al2B2Se2 |
[
"Al",
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"Dy"
] | 6 | A4BC | Al4BiDy | Dy1 Al4 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
2.80776908,
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0
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[
2.80776908,
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] | agm001170059 | [
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[
2.... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Al", "attached"... | [
"Al",
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[
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] | -24.427725 | [
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[
0,
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[
0,
0,
0
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] | -0.000065 | 4.79647 | pbe | true | 05ce6a993eb4a95aaf24b554b4909e28_216_Dy1Al4Bi1 |
[
"Al",
"Cd",
"Hf"
] | 5 | A2B2C | AlCd2Hf2 | Hf2 Al1 Cd2 | 3 | [
1,
1,
1
] | 3 | [
[
2.97873195,
1e-8,
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[
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[
0.29253565,
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] | agm005925974 | [
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] | 0 | 3.934295 | pbe | true | 82ef98b6b7d061cce03e05d12073fc1e_139_Hf2Al1Cd2 |
[
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1,
1,
1
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[
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1,
1
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[
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1,
1,
1
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... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Al", "attached"... | [
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[
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[
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] | 8 | A3B3C2 | Al2Cl3F3 | Al2 Cl3 F3 | 3 | [
1,
1,
1
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... | 0.000862 | 0 | pbe | true | 650626b07dcda8e7c2f6d3298b96d8d7_6_Al2Cl3F3 |
[
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] | 12 | A6B5C | Al6CoIr5 | Al6 Co1 Ir5 | 3 | [
1,
1,
1
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[
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[
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1,
1,
1
] | 3 | [
[
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[
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0.000448... | 3.985215 | 9.797619 | pbe | true | 5ab5898168ac89a97a062999955134ee_148_Al1Co1Ni6 |
[
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] | 11 | A8B2C | Al8CoSc2 | Sc2 Al8 Co1 | 3 | [
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1,
1
] | 3 | [
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0,
0
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[
0,
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[
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"Sc",
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] | 2023-11-16 06:57:59 | [
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[
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0.0011... | -0.000007 | 4.969502 | pbe | true | 85f9f366e7f0a65ceb93ca4a1540872b_123_Sc2Al8Co1 |
[
"Al",
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] | 4 | A2BC | Al2CoTl | Al2 Tl1 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
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... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Al", "attached"... | [
"Tl",
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] | 2023-11-16 06:57:59 | [
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] | -16.996274 | [
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]
] | 0.000072 | 2.729017 | pbe | true | 05288fab763c00b31cafff86f6df313c_44_Al2Tl1Co1 |
[
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] | 4 | A2BC | Al2CoTl | Al2 Tl1 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
4.97548889,
0.01717392,
-1e-8
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[
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[
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[
0.8629307525000003,
2.3333005200000003,
1.4181230150000002
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Al", "attached"... | [
"Tl",
"Co",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.3213904,
-0.504023,
-0.00000305
],
[
-0.504023,
3.6902487,
-0.00000214
],
[
-0.00000305,
-0.00000214,
4.042515
]
] | -15.768834 | [
0.01,
0.814,
0.009,
0.001
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.797975 | 2.069975 | pbe | true | dc295d76fc48eff4e093c889b279b218_119_Al2Tl1Co1 |
[
"Al",
"Cr",
"Pb"
] | 3 | ABC | AlCrPb | Al1 Cr1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.65619975,
0,
0
],
[
2.32809988,
4.03238727,
0
],
[
2.32809988,
1.34412909,
3.80177118
]
] | agm004242559 | [
[
4.656199754999999,
2.68825818,
1.90088559
],
[
0,
0,
0
],
[
6.9842996325,
4.03238727,
2.851328385
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Al", "attached"... | [
"Pb",
"Cr",
"Al"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.5438905,
0,
0
],
[
0,
3.5438905,
0
],
[
0,
0,
3.5438905
]
] | -15.375333 | [
-0.004,
3.902,
-0.006
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.54747 | 1.41787 | pbe | true | 21697e153d0532007e2ef5dc99746a9b_216_Al1Cr1Pb1 |
[
"Al",
"Cr",
"Tc"
] | 16 | A2BC | AlCrTc2 | Al4 Cr4 Tc8 | 3 | [
1,
1,
1
] | 3 | [
[
5.34676462,
0,
0
],
[
0,
8.12298442,
0
],
[
0,
0,
5.17457599
]
] | agm005792296 | [
[
1.428900655621827,
2.030746105,
5.119286732207808
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[
4.102282965621827,
6.0922383149999995,
2.6425772527921922
],
[
3.917863964378173,
6.0922383149999995,
0.0552892577921921
],
[
1.244481654378173,
2.030746105,
2.531998737207808
],
[
3.94490784... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Al", "attached"... | [
"Al",
"Al",
"Al",
"Al",
"Cr",
"Cr",
"Cr",
"Cr",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.448573,
0,
0
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[
0,
3.9243505,
0
],
[
0,
0,
4.275922
]
] | -136.529807 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
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0,
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[
0.00263918,
0,
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[
0.00263918,
0,
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[
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0,
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],
[
-0.00535914,
0,
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],
[
0.00535914,
0,
... | -0.000007 | 12.657192 | pbe | true | 4314b5f3214e5937d19cf724c5ff5742_62_Al4Cr4Tc8 |
[
"Al",
"Cu",
"Si"
] | 8 | A6BC | Al6CuSi | Al6 Cu1 Si1 | 3 | [
1,
1,
1
] | 3 | [
[
3.9969119,
0,
0
],
[
0,
3.9969119,
0
],
[
0,
0,
9.27957393
]
] | agm005492138 | [
[
1.99845595,
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1.2334120145049383
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[
1.99845595,
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[
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[
1.99845595,
0,
2.9534737453739988
],
[
0,
1.99845595,
6.326100184626
],
[
1.99845595,
0,
... | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Si", "attached"... | [
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Cu",
"Si"
] | 2023-11-16 06:57:59 | [
0.75,
0.125,
0.125
] | [
[
-0.8484891,
0,
0
],
[
0,
-0.8484891,
0
],
[
0,
0,
-0.74989957
]
] | -29.74342 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00320291
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[
0,
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[
0,
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[
0,
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[
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[
0,
0,
-0.0030924
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000006 | 4.049325 | pbe | true | e241efa991e93475908dc55f738e8abc_123_Al6Cu1Si1 |
[
"Al",
"Cu",
"Zr"
] | 13 | A7B5C | Al5Cu7Zr | Al5 Cu7 Zr1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
1e-8,
5.01456795
],
[
-4.24953849,
4.27522332,
2.50728348
],
[
-4.24953849,
-4.27522332,
-2.50728348
]
] | mp-1215338 | [
[
-4.24953849,
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2.5072844697222663
],
[
-4.24953849,
-1.364184080744137,
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],
[
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],
[
-2.890606198283085,
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4.9784723010759535e-9
],
[
-5.60847... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zr", "attached"... | [
"Zr",
"Al",
"Al",
"Al",
"Al",
"Al",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu"
] | 2019-01-12 17:02:39 | [
0.38461538461538464,
0.5384615384615384,
0.07692307692307693
] | [
[
-14.08772671,
0,
0
],
[
0,
-14.9778858,
0.00000168
],
[
0,
0.00000168,
-25.37048247
]
] | -59.667708 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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-1e-8
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[
0,
0.08827695,
-1e-8
],
[
0,
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1e-8
],
[
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0
],
[
0.17908627,
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0
],
[
0,
0.0314256,
0
],
[
0.04597283,
-0.02485288,
0.00820008
],
[... | 0 | 7.367762 | pbe | true | 438a573de140053625d151738720b555_44_Zr1Al5Cu7 |
[
"Al",
"Dy",
"Na"
] | 6 | A4BC | Al4DyNa | Na1 Dy1 Al4 | 3 | [
1,
1,
1
] | 3 | [
[
5.57268481,
0,
0
],
[
2.78634241,
4.82608661,
0
],
[
2.78634241,
1.60869554,
4.55007809
]
] | agm001180378 | [
[
2.7863424075,
1.6086955375,
1.1375195225
],
[
5.5726876279490165,
3.217389481134607,
0.5594620406793323
],
[
5.5726876279490165,
1.5999290328599811,
2.846896544914453
],
[
6.973449470532611,
4.026119707785541,
2.846896544914453
],
[
4.17192579039... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Al", "attached"... | [
"Na",
"Al",
"Al",
"Al",
"Al",
"Dy"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
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0,
0
],
[
0,
0.22945467,
0
],
[
0,
0,
0.22945467
]
] | -22.176325 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
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[
0,
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[
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0.00106766
],
[
-0.00261522,
0.0015099,
0.00106766
],
[
0,
0,
0
]
] | 0.000006 | 3.781385 | pbe | true | 3752f585eeb7f3a5b2e4b7acab2020ea_216_Na1Dy1Al4 |
[
"Al",
"Dy",
"Os"
] | 4 | A2BC | AlDy2Os | Dy2 Al1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
3.32612236,
0,
0
],
[
1.66306118,
2.88050646,
0
],
[
1.66306118,
0.96016882,
10.37540227
]
] | agm002010860 | [
[
3.32612236,
1.92033764,
5.187701135
],
[
0,
0,
0
],
[
1.66306284306118,
0.96016978016882,
7.259720119052191
],
[
4.98918187693882,
2.88050549983118,
3.115682150947809
]
] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Al", "attached"... | [
"Os",
"Al",
"Dy",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.3035018,
0,
0
],
[
0,
2.3035018,
0
],
[
0,
0,
2.6703334
]
] | -22.761999 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0.00948067
],
[
0,
0,
-0.00948067
]
] | 0.000032 | 3.06172 | pbe | true | 4ff3905321b6b32e698afabe0fa0f35f_166_Dy2Al1Os1 |
[
"Al",
"Eu",
"Ga"
] | 3 | ABC | AlEuGa | Eu1 Al1 Ga1 | 3 | [
1,
1,
1
] | 3 | [
[
4.72362879,
0,
0
],
[
2.36181439,
4.09078253,
0
],
[
2.36181439,
1.36359418,
3.85682676
]
] | agm001238718 | [
[
4.723628785000001,
2.727188355,
1.92841338
],
[
0,
0,
0
],
[
2.3618143925000004,
1.3635941775,
0.96420669
]
] | [{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Al",
"Ga"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.5707183,
0,
0
],
[
0,
1.5707183,
0
],
[
0,
0,
1.5707183
]
] | -18.016023 | [
6.766,
-0.011,
-0.018
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.949513 | 8.759308 | pbe | true | f9b639736a8493f4af5f9be124285433_216_Eu1Al1Ga1 |
[
"Al",
"Eu",
"Si"
] | 8 | A2BC | Al2EuSi | Eu2 Al4 Si2 | 3 | [
1,
1,
1
] | 3 | [
[
4.42137704,
0,
0
],
[
-2.21068852,
3.82902484,
0
],
[
0,
0,
10.25883473
]
] | agm002251118 | [
[
-2.2106885392600245e-8,
2.552683239430083,
2.5647086825
],
[
2.2106885421068854,
1.2763416005699173,
7.6941260475
],
[
0,
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[
0,
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0
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[
-2.2106885392600245e-8,
2.552683239430083,
5.791467365943353
],
[
2.2106885... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Eu",
"Si",
"Si",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.7624227,
0,
0
],
[
0,
0.7624227,
0
],
[
0,
0,
0.35266182
]
] | -47.545278 | [
-6.784,
-6.784,
0.026,
0.025,
0.004,
0.004,
0.003,
0.003
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00979215
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[
0,
0,
-0.00979215
],
[
0,
0,
0.00979215
],
[
0,
0,
-0.00979215
]
] | -14.007387 | 4.225306 | pbe | true | 1972ade170178c62e29b483c749744b4_194_Eu2Al4Si2 |
[
"Al",
"F",
"Mn"
] | 4 | A2BC | Al2FMn | Mn1 Al2 F1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.21155366,
3.21155366
],
[
3.21155366,
0,
3.21155366
],
[
3.21155366,
3.21155366,
0
]
] | agm002673670 | [
[
3.21155366,
3.21155366,
3.21155366
],
[
1.60577683,
1.60577683,
1.60577683
],
[
4.81733049,
4.81733049,
4.81733049
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "F", "attached":... | [
"Mn",
"Al",
"Al",
"F"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.0370443,
0,
0
],
[
0,
1.0370443,
0
],
[
0,
0,
1.0370443
]
] | -17.329047 | [
4.234,
-0.055,
-0.055,
0.024
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.135643 | 1.911449 | pbe | true | a62eeba120b5b44fadbca6f750413304_225_Mn1Al2F1 |
[
"Al",
"F",
"Rb"
] | 12 | A8B3C | AlF8Rb3 | Rb3 Al1 F8 | 3 | [
1,
1,
1
] | 3 | [
[
6.11083605,
0,
0
],
[
0,
6.11083605,
0
],
[
-3.05541802,
-3.05541802,
5.92696254
]
] | agm003588400 | [
[
3.0554180275,
2.4999999848063226e-9,
2.96348127
],
[
3.055418025,
3.055418025,
0
],
[
2.4999999848063226e-9,
3.0554180275,
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],
[
0,
0,
0
],
[
1.161156562747359,
1.161156562747359,
1.1604039597743567
],
[
1.16115656274735... | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Rb", "attached": ... | [
"Rb",
"Rb",
"Rb",
"Al",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.6666666666666666,
0.25
] | [
[
2.0495725,
0,
0
],
[
0,
2.0495725,
0
],
[
0,
0,
1.8435361
]
] | -50.38619 | [
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-0.001,
-0.008,
0.234,
0.234,
0.234,
0.234,
0.234,
0.234,
0.234,
0.234
] | [
[
0,
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0
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[
0,
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0
],
[
0,
0,
0
],
[
0,
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0
],
[
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[
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[
-0.00298095,
0.00298095,
-0.00134227
],
[
-0.00298095,
-0.0... | 2.022901 | 9.284288 | pbe | true | 0727e86d915a94b7244e3e6c5746620d_139_Rb3Al1F8 |
[
"Al",
"Fe",
"Pr"
] | 13 | A8B4C | Al8Fe4Pr | Pr1 Al8 Fe4 | 3 | [
1,
1,
1
] | 3 | [
[
6.71190846,
-0.00130181,
0
],
[
-4.81834851,
4.67260468,
0
],
[
-0.94677997,
-2.33565144,
6.22077623
]
] | agm003213442 | [
[
0,
0,
0
],
[
2.2416834096926443,
1.81074920682067,
1.3972463095408572
],
[
1.2949034374465473,
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4.823529920459142
],
[
1.9767879008070546,
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2.133023610214822
],
[
-3.788340582621816,
1.535642237548458,
... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Al", "attached"... | [
"Pr",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Fe",
"Fe",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.6153846153846154,
0.3076923076923077,
0.07692307692307693
] | [
[
2.5465367,
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0
],
[
0.24742217,
3.056618,
0
],
[
0,
0,
2.4462416
]
] | -73.702596 | [
-0.05,
-0.022,
-0.022,
-0.018,
-0.018,
-0.018,
-0.018,
-0.022,
-0.022,
1.563,
1.563,
1.563,
1.563
] | [
[
0,
0,
0
],
[
0.00022915,
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],
[
0.00022915,
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],
[
0.00095176,
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0.00102699
],
[
0.00095176,
-0.00038581,
-0.00102699
],
[
-0.00095176,
0.00038581,
0.00102699
],
... | 5.791241 | 8.3284 | pbe | true | 79ec53d227133c8716c9b1bd2bd3f02a_139_Pr1Al8Fe4 |
[
"Al",
"Fe",
"Y"
] | 4 | A2BC | Al2FeY | Y1 Al2 Fe1 | 3 | [
1,
1,
1
] | 3 | [
[
4.5399972,
-0.74758562,
-0.16818683
],
[
0.72917579,
4.54299066,
0.1681872
],
[
-2.53200426,
-2.04011542,
3.25969928
]
] | agm004130079 | [
[
0.4165857139814191,
2.200797919723965,
1.7139433325496245
],
[
2.638630585269825,
1.9006154933682002,
1.8528397499343123e-7
],
[
2.733977771528986,
1.7529911606618267,
3.2596996497759316
],
[
2.3197298842197704,
-0.4461228137539911,
1.545756317390469
]... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Fe",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.337819,
0.14025357,
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],
[
0.14025357,
2.2441304,
0.3279263
],
[
-0.2362052,
0.3279263,
2.2285655
]
] | -22.651614 | [
-0.12,
1.69,
-0.017,
-0.012
] | [
[
-0.00361234,
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0
],
[
-0.00034094,
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0
],
[
0.0030995,
0.00223258,
0
],
[
0.00085377,
0.00061498,
0
]
] | 1.433643 | 4.029912 | pbe | true | 84a4132bf8641dfd6efc47caa14f0720_44_Y1Al2Fe1 |
[
"Al",
"Ga",
"Sb"
] | 12 | ABC | AlGaSb | Al4 Ga4 Sb4 | 3 | [
1,
1,
1
] | 3 | [
[
9.77045226,
0,
-0.00875576
],
[
0,
4.52688796,
0
],
[
-2.04607218,
0,
7.39599296
]
] | agm002036431 | [
[
1.4869343134051671,
2.9091015607929096,
3.0268744042435625
],
[
6.237445766594834,
2.9091015607929096,
4.360362795756438
],
[
0.4638982234051673,
0.64565758079291,
6.724870884243562
],
[
7.260481856594834,
0.64565758079291,
0.6623663157564376
],
[
... | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ga", "attached"... | [
"Sb",
"Sb",
"Sb",
"Sb",
"Al",
"Al",
"Al",
"Al",
"Ga",
"Ga",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.2104559,
0,
0.03437598
],
[
0,
1.2274559,
0
],
[
0.03437558,
0,
1.2019126
]
] | -43.46303 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00143545,
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],
[
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0.00161003
],
[
0.00143545,
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],
[
-0.00143545,
0.00149478,
0.00161003
],
[
0.00139411,
0.00153838,
0.0016293
],
[
-0.00139411,
0.00153838... | 0 | 0.443845 | pbe | true | 780c71ee0b18050cfb8de55eff011e41_5_Al4Ga4Sb4 |