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 | [
[
3.38473441,
3.38473441,
3.38473441
],
[
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Pb",
"Al",
"Ag"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
4.0963645,
0,
0
],
[
0,
4.0963645,
0
],
[
0,
0,
4.0963645
]
] | -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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0,
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0
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4.210343279719461,
1.2902184572146722,
1.8169771795914187
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[
0.20626612307231657,
0.2656888820602872,
4.751833753633112
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5.970463729969501
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6.071542758284568,
0.722614830030499
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5.155556530629728,
3.34653928
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3.2923323876548394,
0.722614830030499
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[
1.8448635150000001,
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5.970463729969501
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[
1.7676081558242902,
4.6883545914074904,
4.048237831418611
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Th",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.631578947368421,
0.3157894736842105,
0.05263157894736842
] | [
[
3.462814,
0.0175844,
0.0247636
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[
0.0175844,
3.4718127,
0.03189769
],
[
0.0247636,
0.03189769,
3.494083
]
] | -63.857808 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
0.00126159,
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[
0.00056183,
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[
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[
0.00404697,
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[
0,
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[
0.00404697,
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0
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[
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[
0,
0.00417735,
-0.0029663
],
[
-0.00056183,
0.000478,
-0.00059965
]
] | -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
],
[
5.7274915321317925,
2.14569047909789,
3.8727569090042437
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[
10.270255950840637,
3.84754657206528,
6.375504642599846
],
[
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Te",
"Al",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.300598,
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0.05185168
],
[
-0.02179906,
2.3506196,
0.0194252
],
[
0.05185182,
0.01942525,
2.1493359
]
] | -12.375215 | [
0,
0,
0,
0
] | [
[
0.00229537,
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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 | [
[
2.945797067952336,
0.98987538,
2.28093353
],
[
1.013704452047664,
2.96962614,
2.28093353
],
[
2.96962614,
2.993455212047664,
6.8428005899999995
],
[
4.9493769,
4.925547827952336,
6.8428005899999995
],
[
1.97975076,
1.97975076,
0
],
[
1.97975076,
3.95950152,
4.56186706
],
[
0,
0,
0
],
[
3.95950152,
1.97975076,
4.56186706
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Zn",
"Zn",
"Zn",
"Zn",
"Al",
"Al",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.5638576,
0,
0
],
[
0,
5.5638576,
0
],
[
0,
0,
2.6972208
]
] | -17.257022 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00161906,
0,
0
],
[
0.00161906,
0,
0
],
[
0,
0.00161906,
0
],
[
0,
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0
],
[
0,
0,
0
],
[
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,
12.537758321587033
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2.7170216998882637,
2.013435242921383,
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12.537764035294773
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3.1218330268645347,
5.320762533669742,
9.438040668412967
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[
1.1338057321879118,
0.0639263638750326,
10.987899495
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[
4.705051942581777,
3.371243611190892,
10.987899495
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5.827365085978169,
5.256702633021679,
14.034944234606895
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[
0.011491702581573799,
1.9493744638332517,
7.94084486628356
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0.011491702581564399,
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14.03495412371644
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5.8273650275896,
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14.475798540565387
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[
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3.8247182870705507,
10.987899495
],
[
4.420022888778904,
0.5173953075158878,
10.987899495
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ag",
"Ag",
"Ag",
"Ag",
"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,
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]
] | -42.255625 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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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[
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0.00003023,
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[
0.00003023,
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[
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[
-0.00291624,
0.00900429,
0
],
[
0.00291624,
0.00900429,
0
]
] | 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,
2.8973421150000007,
5.109273555
],
[
0,
4.024261530721606,
-0.055110786152880405
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[
0,
2.034398859278395,
3.40022377615288
],
[
1.959648525,
0.9657807050000001,
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Au",
"Br",
"Br",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.8005266,
0,
0
],
[
0,
2.6746612,
0.29392204
],
[
0,
0.29392204,
3.1108851
]
] | -9.402826 | [
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
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0.0022564
],
[
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,
6.202871943469568
],
[
1.974478922422989,
3.950738662508441,
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4.433706965882233,
1.8732421758196227,
5.360125346530432
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1.4010125002748481,
4.333204609227849,
8.821147384134342
],
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1.3046835393993639,
7.219420446822994,
8.62668588185036
],
[
2.3117623394576854,
2.2802166996727276,
1.3391168567323353
],
[
4.7751072706006354,
0.3033215031770058,
2.9363114081496393
],
[
3.7680284705423146,
5.2425252503272715,
10.223880433267665
],
[
1.724279288123553,
2.6983803654774525,
6.361678598731883
],
[
4.355511521876447,
4.824361584522547,
5.201318691268117
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Cd",
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"Ag",
"Au",
"Au",
"Au",
"Au",
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[
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1
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] | 0 | 4.567642 | pbe | true | c636faa1968123cd98da04f39b9665fa_62_Cd4Ag12Au4 |
[
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1,
1
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] | 0 | 4.053458 | pbe | true | 700d5e57d717ef1b7acd78d18c5cc195_162_Ag6Sb1Au10 |
[
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1,
1
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] | 1.040908 | 0.672928 | pbe | true | ad9518f6209b3b09a43e7c7bb6fdc846_2_Ag5B2F12 |
[
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1,
1
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"Br",
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] | -0.000315 | 11.47825 | pbe | true | 2162acf79b38cdf546c60382c2645c78_162_Ag2B1Br6 |
[
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1,
1,
1
] | 3 | [
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0,
0
],
[
0,
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[
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"B",
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[
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"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
],
[
12.088861849999997,
12.539273887195616,
3.0394060949999995
],
[
0,
0,
0
],
[
9.67108948,
4.83554474,
2.02627073
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"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
],
[
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
],
[
0.5099794867239523,
0.5393703528649839,
0.1231197911448537
],
[
2.500683622949901,
6.797354159884925,
2.8633397213298575
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"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,
-0.00052785,
0.00010767
],
[
0.00317126,
0.00261675,
-0.00050604
],
[
0.00395534,
0.00095537,
0.00062173
],
[
0.00391651,
-0.00133618,
0.00172395
],
[
0.00283721,
0.00201768,
-0.0032485
]
] | 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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"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,
5.737874303750001,
0.637857175
],
[
5.73787430625,
6.280902445959121,
1.913571525
],
[
9.56312384125,
9.02009570154088,
1.913571525
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"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,
2.6346819850000003,
-2.15679681
],
[
3.045434745,
1.4999999992104662e-8,
2.15679629
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"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
],
[
-0.43460492250000005,
2.9698482024999997,
4.09498975
],
[
3.8376183563307613,
3.989674206911581,
0
],
[
2.9844867225,
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4.09498975
],
[
-1.2877365563307615,
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8.1899795
],
[
0.8915028165879303,
4.2460886286517825,
1.40350007935682
],
[
-1.6583789751257492,
1.5951742669381035,
6.78647942064318
],
[
1.658378983412069,
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6.78647942064318
],
[
4.208260775125749,
1.055740103061896,
1.40350007935682
],
[
-0.000002573672552205534,
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2.797796505450925
],
[
2.549884373672552,
2.6509170457154485,
5.392182994549075
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Li",
"Li",
"Ca",
"Ca",
"Ca",
"Ca",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5,
0.3333333333333333,
0.16666666666666666
] | [
[
3.707153,
0.04202695,
0
],
[
0.04202695,
3.71042,
0
],
[
0,
0,
3.7824519
]
] | -31.797823 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
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],
[
0,
0,
0.00191922
],
[
0,
0,
0
],
[
0.00246268,
0.00256026,
0
],
[
0,
0,
0
],
[
-0.00246268,
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0
],
[
-0.00182275,
0.00175328,
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],
[
-0.00182275,
0.00175328,
0.00006072
],
[
0.00182275,
-0.00175328,
0.00006072
],
[
0.00182275,
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-0.00006072
],
[
0,
0,
0.00217301
],
[
0,
0,
-0.00217301
]
] | -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
],
[
-2.37016302,
5.24910086,
0.01015551
],
[
0.41230033,
0.68840189,
2.59853282
]
] | agm004375198 | [
[
0,
0,
0
],
[
2.78246085,
0.34165330499999996,
1.28964976
],
[
1.391229175,
2.6220027900000002,
-0.004538894999999999
],
[
-0.9789313450000001,
2.968751375,
1.304344165
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Re",
"Re",
"Ca",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
7.676358,
0.03080512,
0.11629498
],
[
0.03080541,
7.2555013,
0.09408602
],
[
0.11629607,
0.09408602,
7.58572
]
] | -27.12708 | [
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[
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[
0,
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[
0,
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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 | [
[
4.64112496,
0,
0
],
[
2.32056248,
4.01933212,
0
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ag",
"Cl",
"Sc"
] | 2023-11-16 06:57:59 | [
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[
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] | -12.053964 | [
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0,
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[
0,
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[
0,
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0
]
] | 0.933246 | 2.749063 | pbe | true | c1a1903a602404bd4c5240602f5748e7_216_Sc1Ag1Cl1 |
[
"Ag",
"Cd",
"Ga"
] | 14 | A8B5C | Ag8Cd5Ga | Cd5 Ga1 Ag8 | 3 | [
1,
1,
1
] | 3 | [
[
7.14309489,
0.00208081,
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[
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[
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] | agm003681410 | [
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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": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
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"Cd",
"Cd",
"Cd",
"Ga",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
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[
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[
-0.00252257,
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0.00234029
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] | -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,
-0.00227013
],
[
-0.0000898,
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-0.0023379
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[
0.00244414,
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7.16710757
]
] | agm003740148 | [
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Er",
"Er",
"Er",
"Er",
"Cd",
"Ag"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
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[
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[
0.02278916,
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] | -21.64938 | [
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[
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[
-0.00051273,
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0.0000824
]
] | 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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0
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Hg",
"Ag",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
7.232746,
0,
0
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[
0,
7.8163967,
0
],
[
0,
0,
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] | -4.901251 | [
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[
0,
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[
0,
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
],
[
0,
7.55321115,
0
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[
0,
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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": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Tl",
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"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.375,
0.5,
0.125
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[
3.118854,
0,
0
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[
0,
3.118854,
0
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[
0,
0,
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] | -45.13024 | [
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[
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[
0,
0,
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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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]
] | agm004090338 | [
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2.239054676723052,
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ag",
"Co",
"Co",
"Cu"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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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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] | agm001256402 | [
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[
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] | 1.12245 | 13.551511 | pbe | true | 8520d7351afe1a9fba3d48fdc4dfd5c6_147_Dy1Ag2F8 |
[
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1
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[
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] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Dy",
"Dy",
"Ag",
"Ag",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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] | 0 | -0.036931 | pbe | true | cabf673dac5e91ead54d9521c3b42e04_1_Dy2Ag2Te4 |
[
"Ag",
"Dy",
"Tl"
] | 19 | A12B5C2 | Ag2Dy12Tl5 | Dy12 Tl5 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
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"Dy",
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"Dy",
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"Tl",
"Tl",
"Tl",
"Tl",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
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] | 0.000101 | 21.041012 | pbe | true | 87d32cfdcbea48004d80cfdee15501a6_12_Dy12Tl5Ag2 |
[
"Ag",
"F",
"Mg"
] | 11 | A7B3C | Ag3F7Mg | Mg1 Ag3 F7 | 3 | [
1,
1,
1
] | 3 | [
[
5.00275928,
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2.16383823
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Mg",
"Ag",
"Ag",
"Ag",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.2727272727272727,
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] | -42.027335 | [
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0.437,
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0.073,
0.106,
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[
0.00237151,
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]
] | 2.046677 | 5.170184 | pbe | true | 93e3dc88cb37602fbbd31b6acac20cc7_8_Mg1Ag3F7 |
[
"Ag",
"Fe",
"Hg"
] | 4 | A2BC | Ag2FeHg | Fe1 Ag2 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
9.568179,
0.00926384,
0.00543626
],
[
9.1112749,
2.92143884,
0.00543626
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[
9.1112749,
1.42950848,
2.54781082
]
] | agm004292268 | [
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27.71778480667491,
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1.0714579718743944,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ag",
"Ag",
"Fe",
"Hg"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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[
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]
] | -13.209332 | [
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[
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[
0.00322207,
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0.00029665
]
] | 2.8949 | 2.754615 | pbe | true | d3504a63a3878eec184c4d9c5cb84acb_160_Fe1Ag2Hg1 |
[
"Ag",
"Fe",
"Os"
] | 4 | A2BC | Ag2FeOs | Fe1 Ag2 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.11146175,
3.11146175
],
[
3.11146175,
0,
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[
3.11146175,
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0
]
] | agm002674829 | [
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[
0,
0,
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[
1.555730875,
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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": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Os",
"Fe",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
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[
0,
7.362461,
0
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[
0,
0,
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]
] | -20.777133 | [
0,
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] | [
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[
0,
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0
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[
0,
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[
0,
0,
0
]
] | 0.00047 | 5.833778 | pbe | true | e7b00b2de260667410e525b672e6f7ff_225_Fe1Ag2Os1 |
[
"Ag",
"Ga",
"Li"
] | 7 | A4B2C | Ag4Ga2Li | Li1 Ga2 Ag4 | 3 | [
1,
1,
1
] | 3 | [
[
2.79629464,
-5e-8,
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[
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[
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Li",
"Ga",
"Ga",
"Ag",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.2857142857142857,
0.14285714285714285
] | [
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[
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]
] | -19.723728 | [
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0,
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[
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[
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],
[
-0.00103112,
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]
] | 0 | 2.123487 | pbe | true | 902a09e107ec4ec3658de14c1c1b84f2_71_Li1Ga2Ag4 |
[
"Ag",
"Ga",
"Tm"
] | 11 | A8B2C | AgGa2Tm8 | Tm8 Ga2 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
4.94519135,
0,
0
],
[
0,
6.67086027,
0.40383331
],
[
-2.47259568,
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]
] | agm003529957 | [
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
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"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Ga",
"Ga",
"Ag"
] | 2023-11-16 06:57:59 | [
0.09090909090909091,
0.18181818181818182,
0.7272727272727273
] | [
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[
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[
0,
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]
] | -47.262254 | [
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] | [
[
0,
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[
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[
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[
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0,
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[
0,
0.00233423,
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[
0,
0,
0
]
] | -0.00004 | 11.293123 | pbe | true | f080d76dcbd9d1f78a33b09dd69a1a7f_12_Tm8Ga2Ag1 |
[
"Ag",
"Ge",
"La"
] | 5 | A3BC | Ag3GeLa | La1 Ag3 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
5.5717995,
0,
0
],
[
0,
5.5717995,
0
],
[
0,
0,
5.5717995
]
] | agm002483914 | [
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[
0,
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[
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[
2.78589975,
0,
0
],
[
0,
0,
0
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"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,
0,
0
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
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,
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[
2.18017679,
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0
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[
2.18017679,
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4.935579405
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Pb",
"Pb",
"Ge",
"Ge",
"Ge",
"Ge",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.747146,
0,
0
],
[
0,
5.747146,
0
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[
0,
0,
0.69919175
]
] | -29.515264 | [
0,
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0,
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[
0,
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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
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2.583054975,
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0
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[
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1.503450355
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[
0,
0,
0
],
[
5.1661099525,
2.5830549775,
1.503450355
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"H",
"H",
"H",
"H",
"Mo",
"Mo",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
11.66347,
0,
0
],
[
0,
11.66347,
0
],
[
0,
0,
16.310392
]
] | -37.909189 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.0006256,
0,
0
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[
0.0006256,
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[
0,
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[
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
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
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"I",
"Hg",
"Ag"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.2908258,
0,
0
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[
0,
3.2908258,
0
],
[
0,
0,
3.2908258
]
] | -4.741644 | [
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
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
],
[
0,
-3.44104726,
8.42597993
]
] | agm003339296 | [
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2.395350883351865,
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5.395970966612914
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[
0,
0,
0
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[
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[
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3.203001998551543
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[
2.3953509078139366,
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2.180543607175799
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[
-2.7813936191080015e-8,
1.6339448880180347,
5.513034362824201
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"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,
0
] | [
[
0,
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0.00026926
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[
0,
0,
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[
0,
0.0002529,
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[
0,
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[
0,
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[
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[
0,
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[
0,
0.00018314,
0.00117762
],
[
0,
-0.00018314,
-0.00117762
]
] | -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
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[
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ag",
"Hg",
"Hg",
"Ni"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-2.9524288,
0,
0
],
[
0,
-2.9524288,
0
],
[
0,
0,
-2.9524288
]
] | -7.994943 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
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
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[
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Sm",
"Sm",
"Ho",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.060109,
0,
0
],
[
0,
1.060109,
0
],
[
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
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[
5.3227443734937765,
3.0730878958806596,
8.122995201616966
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[
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"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,
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 | [
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4.958070460417329,
4.272065916541279,
0.6864175278615136
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[
1.1983511958903719,
5.683246080829404,
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6.229973142138486
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3.823036535851861
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[
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5.019661815565893
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[
6.629712410964376,
6.211088613540098,
1.8967288544341068
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[
2.647126523784652,
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4.462344568793382
],
[
5.535344950505555,
4.069144573688412,
6.239415887758254
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"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,
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[
0.08607749,
0.5716738,
0.07321262
],
[
0.06033041,
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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,
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0.022
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[
0,
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[
0.00217926,
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[
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[
0.00372853,
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[
0.00199633,
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[
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[
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[
-0.00199633,
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0.0017647
],
[
0.00124833,
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]
] | 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,
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0
],
[
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
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"Ag",
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] | 0 | 5.375733 | pbe | true | 518336b0388bbc25282570482fa474d4_51_In6Ag2Pd8 |
[
"Ag",
"K",
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] | 8 | A2BC | AgK2Mg | K4 Mg2 Ag2 | 3 | [
1,
1,
1
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0,
0
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[
0,
12.23201228,
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"K",
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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
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[
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0,
0
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[
0,
4.50721379,
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"Nb",
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"Li",
"Li"
] | 2023-11-16 06:57:59 | [
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[
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] | 0.000397 | 4.86115 | pbe | true | 60819c1cec32dd8e021b2710dfb15c42_221_Li3Nb1Ag1 |
[
"Ag",
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] | 10 | A2B2C | Ag2Li2Ni | Li4 Ni2 Ag4 | 3 | [
1,
1,
1
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0,
0
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[
0,
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"Ni",
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"Ag",
"Ag",
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] | 2023-11-16 06:57:59 | [
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[
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] | 0 | 4.789431 | pbe | true | 90bc73600e314b893a59dd33da993f83_127_Li4Ni2Ag4 |
[
"Ag",
"Lu",
"Nd"
] | 4 | A2BC | AgLuNd2 | Nd2 Lu1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
3.71671302,
0,
0
],
[
0,
3.71671302,
0
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[
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0,
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] | agm001134474 | [
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] | [{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Lu",
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"Nd",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
] | [
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0,
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[
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] | -17.264165 | [
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[
0,
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[
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] | 0.000057 | 7.020746 | pbe | true | 2faeb9b657abc8f1ce55d051b1c071ae_123_Nd2Lu1Ag1 |
[
"Ag",
"Mg",
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] | 8 | A4B3C | Ag4Mg3Nd | Nd1 Mg3 Ag4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
1.35361853
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[
2.09301974,
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[
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] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Mg",
"Mg",
"Mg",
"Nd",
"Ag",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5,
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] | [
[
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[
0.00411608,
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[
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] | -22.766849 | [
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[
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[
-0.00055305,
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0.00187356
]
] | -0.000005 | 3.717312 | pbe | true | 2055f9e24c8d346f445e4181605bd0ea_166_Nd1Mg3Ag4 |
[
"Ag",
"Mg",
"Si"
] | 3 | ABC | AgMgSi | Mg1 Si1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
3.05324411,
0,
0
],
[
-1.52662206,
2.64418696,
0
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[
0,
0,
6.59447633
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] | agm004031076 | [
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[
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[
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] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ag",
"Mg",
"Si"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
0,
3.2289305,
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[
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]
] | -9.473285 | [
0,
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[
0,
0,
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[
0,
0,
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]
] | -0.000002 | 1.043375 | pbe | true | f12c2b31234510698721da3cf670e601_156_Mg1Si1Ag1 |
[
"Ag",
"Mn",
"Os"
] | 5 | A3BC | AgMnOs3 | Mn1 Ag1 Os3 | 3 | [
1,
1,
1
] | 3 | [
[
4.775241,
0,
0
],
[
0,
4.775241,
0
],
[
0,
0,
4.775241
]
] | agm002527185 | [
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2.3876205,
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2.3876205
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[
0,
2.3876205,
0
],
[
0,
0,
2.3876205
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[
2.3876205,
0,
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[
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Mn",
"Os",
"Os",
"Os",
"Ag"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
6.023047,
0,
0
],
[
0,
6.023047,
0
],
[
0,
0,
6.023047
]
] | -30.415732 | [
4.273,
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-2.123,
-1.18,
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] | [
[
0,
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[
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.75269 | 3.719779 | pbe | true | 639c4580e12e5e6652832d8d9768d7ad_221_Mn1Ag1Os3 |
[
"Ag",
"Mo",
"Zn"
] | 5 | A3BC | Ag3MoZn | Zn1 Ag3 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
4.65663572,
0,
0
],
[
0,
4.65663572,
0
],
[
0,
0,
4.65663572
]
] | agm002627648 | [
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2.32831786
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[
0,
0,
0
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[
0,
2.32831786,
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[
0,
0,
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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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Mo",
"Zn",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
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0,
0
],
[
0,
5.64325,
0
],
[
0,
0,
5.64325
]
] | -14.394156 | [
0,
0,
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0,
0.001
] | [
[
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00001 | 4.59122 | pbe | true | e9fbdf5b27ebda262bb7fef789c2db5d_221_Zn1Ag3Mo1 |
[
"Ag",
"Mo",
"Tc"
] | 4 | A2BC | AgMoTc2 | Tc2 Ag1 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
9.45596287,
-0.01345709,
-0.00788274
],
[
9.04730973,
2.74983666,
-0.00788274
],
[
9.04730973,
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2.40239316
]
] | agm004346985 | [
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6.887645582500001,
1.0185880675,
0.59665692
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[
20.6629367475,
3.0557642025000002,
1.7899707599999999
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0.1363337811541817,
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[
13.638957383845819,
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[
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] | 0.000003 | 4.454495 | pbe | true | cab9a1013cfaf4b25e25f23399df1522_82_Na5Tl8Ag1 |
[
"Ag",
"Nd",
"Zn"
] | 18 | A6B2C | Ag2Nd6Zn | Nd12 Zn2 Ag4 | 3 | [
1,
1,
1
] | 3 | [
[
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"Nd",
"Zn",
"Zn",
"Ag",
"Ag",
"Ag",
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] | 2023-11-16 06:57:59 | [
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] | -0.000064 | 19.781054 | pbe | true | 70067fb387d5ff6508e61e47e7ba6915_71_Nd12Zn2Ag4 |
[
"Ag",
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1,
1,
1
] | 3 | [
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] | 2.087358 | 5.792131 | pbe | true | cda979c5f3cd9a773ac74b846036d63d_148_Ag2Pb2O6 |
[
"Ag",
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1,
1,
1
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[
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"O",
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] | 0 | 0 | pbe | true | d92a31bc3b8b570bdc7f591a3cc52d5b_15_V4Ag4O12 |
[
"Ag",
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1,
1,
1
] | 3 | [
[
0,
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[
3.56725489,
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] | 0 | 2.553464 | pbe | true | 1c7fb0efb649247ab5143cdb34cae6a3_225_Ag1Pd1Pb2 |
[
"Ag",
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1,
1,
1
] | 3 | [
[
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0,
0
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[
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[
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] | -0.000003 | 3.000599 | pbe | true | f057372ffc0ada01a43f60638118e1e2_186_Th2Ag2Pb2 |
[
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1,
1,
1
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"Sn",
"Sn",
"Sn",
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] | 2023-11-16 06:57:59 | [
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[
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] | 0 | 6.045497 | pbe | true | e36d2c87d2ae7edf4caed20c21561a43_140_Rb2Ag18Sn8 |
[
"Ag",
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1,
1,
1
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"Sb",
"Sb",
"Sn",
"Sn",
"Sn",
"Sn",
"Ag",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
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] | 0 | 3.17004 | pbe | true | c5ffb6d91b9d95c016285c4f32993e17_127_Ag4Sn4Sb2 |
[
"Ag",
"Sb",
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] | 20 | A12B7C | AgSb7Tl12 | Tl12 Ag1 Sb7 | 3 | [
1,
1,
1
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"Tl",
"Ag",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
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] | 2023-11-16 06:57:59 | [
0.05,
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] | -0.000004 | 7.317087 | pbe | true | 5d75fe9ef90d26d69b051fca1200bd30_148_Tl12Ag1Sb7 |
[
"Ag",
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1,
1,
1
] | 3 | [
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"Sm",
"Sm",
"Sm",
"Ag",
"Ag",
"Ag",
"Ag",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.4444444444444444,
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[
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0,
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[
0,
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] | 0.000025 | 4.667334 | pbe | true | 6be4fc5095ff6aba62508fd1b87b73a6_12_Sm3Ag4Sn2 |
[
"Ag",
"Sn",
"Yb"
] | 6 | ABC | AgSnYb | Yb2 Ag2 Sn2 | 3 | [
1,
1,
1
] | 3 | [
[
4.85800921,
0,
0
],
[
-2.42900461,
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0,
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"Yb",
"Yb",
"Sn",
"Sn",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
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[
0,
0,
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[
0,
0,
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]
] | 0 | 3.010508 | pbe | true | ed61b70a1c5a14b4a160cdd0aab92811_186_Yb2Ag2Sn2 |
[
"Al",
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] | 80 | A12B5C3 | Al3Au12Sb5 | Al12 Sb20 Au48 | 3 | [
1,
1,
1
] | 3 | [
[
13.5735861,
0,
0
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[
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"B",
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] | 5.77431 | 2.482767 | pbe | true | 699b5da24091cb79eb11c4ef8c0a53d5_127_Al2Fe4B4 |
[
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1,
1,
1
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] | 0 | 2.302294 | pbe | true | 26daee37d3d5d4cc92e905a8bd64f60c_122_Al2B2Pd4 |
[
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1,
1
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] | 0 | 0.426142 | pbe | true | 8ae47a1a842dbcb6d990d45acd7ce10d_2_Al2B2Se2 |
[
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1,
1,
1
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] | -0.000065 | 4.79647 | pbe | true | 05ce6a993eb4a95aaf24b554b4909e28_216_Dy1Al4Bi1 |
[
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1,
1
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] | 0 | 3.934295 | pbe | true | 82ef98b6b7d061cce03e05d12073fc1e_139_Hf2Al1Cd2 |
[
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1,
1,
1
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] | -0.000046 | 14.398128 | pbe | true | 6402b2ada5277c20387b5a328cd263a8_71_La8Al2Cd1 |
[
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1,
1,
1
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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],
[
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],
[
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],
[
-0.00598389,
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],
[
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],
[
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],
[
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],
[
-0.00161418,
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],
[
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],
[
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],
[
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],
[
0.00294689,
0.00293111,
-0.0037477
],
[
-0.00240268,
-0.0021219,
-0.00636509
]
] | 0 | 0 | pbe | true | 853c44362b8adc0685c0b100bb05d433_15_Al4In8Cl20 |
[
"Al",
"Cl",
"Cr"
] | 10 | A2B2C | Al2Cl2Cr | Al4 Cr2 Cl4 | 3 | [
1,
1,
1
] | 3 | [
[
6.9882965,
0,
0
],
[
0,
6.9882965,
0
],
[
0,
0,
4.79830055
]
] | agm002953167 | [
[
0,
0,
0
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[
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3.49414825,
0
],
[
2.54889840694444,
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[
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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": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Cr",
"Cr",
"Al",
"Al",
"Al",
"Al",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
-0.10469451,
0,
0
],
[
0,
-0.10469451,
0
],
[
0,
0,
0.8812148
]
] | -40.87976 | [
4.002,
3.999,
-0.01,
-0.004,
-0.01,
-0.003,
0.021,
0.027,
0.02,
0.028
] | [
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0,
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[
0,
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0
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[
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0
],
[
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[
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[
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[
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[
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0
],
[
0.00857437,
0.00857437,
0
],
[
0.00857437,
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0
]
] | 9.334739 | 5.538766 | pbe | true | acf2ff7098b2b3b765e926e7587b4603_127_Al4Cr2Cl4 |
[
"Al",
"Cl",
"F"
] | 8 | A3B3C2 | Al2Cl3F3 | Al2 Cl3 F3 | 3 | [
1,
1,
1
] | 3 | [
[
9.0760552,
0.0000082,
0
],
[
-0.00001758,
5.04231054,
0
],
[
0,
0,
17.467109
]
] | agm2000077585 | [
[
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3.5153802215147683,
8.65939841275377
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[
1.4758998083423789,
3.5153758985615298,
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[
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4.512109180397588,
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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": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}] | [
"Al",
"Al",
"Cl",
"Cl",
"Cl",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.25,
0.375,
0.375
] | [
[
0.18886586,
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1.2e-7
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[
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],
[
1.2e-7,
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]
] | -37.283692 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
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[
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[
2e-8,
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[
0.0045719,
0.00202532,
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],
[
-1e-8,
0.00258792,
0.00769068
]
] | 0.000862 | 0 | pbe | true | 650626b07dcda8e7c2f6d3298b96d8d7_6_Al2Cl3F3 |
[
"Al",
"Co",
"Ir"
] | 12 | A6B5C | Al6CoIr5 | Al6 Co1 Ir5 | 3 | [
1,
1,
1
] | 3 | [
[
4.0310115,
-0.02405262,
1.34336631
],
[
0.03197476,
5.95393559,
0.01065628
],
[
-0.00202069,
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6.72563048
]
] | agm006133865 | [
[
2.7040907117483224,
2.9529148423097182,
5.378329460552253
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[
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[
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[
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[
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[
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[
0.6807663303543554,
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4.757237520077649
],
[
0.6644913686371767,
1.4503541469272039,
4.751813537352653
]
] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Co",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.08333333333333333,
0.4166666666666667
] | [
[
1.8699188,
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[
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1.7619206,
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],
[
-0.05567368,
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2.018423
]
] | -84.556824 | [
-0.029,
0.067,
0.018,
0.067,
-0.029,
0.653,
-0.002,
-0.002,
-0.003,
-0.003,
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-0.002
] | [
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[
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0,
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],
[
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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[
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[
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[
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0.00051445,
0.00213775
],
[
-0.00071488,
-0.00051445,
0.00213591
]
] | 0.657712 | 2.878927 | pbe | true | 38899b8df1428af0afd56296ab605417_65_Al6Co1Ir5 |
[
"Al",
"Co",
"Ni"
] | 8 | A6BC | AlCoNi6 | Al1 Co1 Ni6 | 3 | [
1,
1,
1
] | 3 | [
[
6.14094614,
0.2927676,
-0.19078845
],
[
3.31417115,
5.75301677,
-0.00865602
],
[
3.06104944,
2.06806049,
2.60816765
]
] | agm003766760 | [
[
0,
0,
0
],
[
6.258083365,
4.05692243,
1.20436159
],
[
9.97640814515127,
4.664499111385258,
1.9594005777531314
],
[
10.097124429726637,
7.320183721989161,
1.8182712996577703
],
[
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2.2439149421168474,
0.7395479930857833
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[
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[
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0.4493226022468686
],
[
7.8424293955848805,
5.8699299178831525,
1.6691751869142168
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Al",
"Co",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.125,
0.125,
0.75
] | [
[
-11.085298,
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0.03597268
],
[
-0.09666456,
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],
[
0.03597484,
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]
] | -46.131813 | [
-0.01,
1.83,
0.398,
0.397,
0.395,
0.397,
0.398,
0.395
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
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[
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[
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[
0.00439211,
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[
0.00140122,
0.00044891,
-0.00503304
],
[
0.00006132,
-0.00475172,
-0.00298754
]
] | 3.985215 | 9.797619 | pbe | true | 5ab5898168ac89a97a062999955134ee_148_Al1Co1Ni6 |
[
"Al",
"Co",
"Sc"
] | 11 | A8B2C | Al8CoSc2 | Sc2 Al8 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
4.11699761,
0,
0
],
[
0,
4.11699761,
0
],
[
0,
0,
10.77567109
]
] | agm005893066 | [
[
0,
0,
3.333735851003925
],
[
0,
0,
7.4419352389960745
],
[
0,
2.058498805,
5.387835545
],
[
2.058498805,
0,
5.387835545
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[
2.058498805,
2.058498805,
3.324290544266697
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[
2.058498805,
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7.451380545733302
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[
0,
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[
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[
0,
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],
[
2.058498805,
0,
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],
[
0,
0,
0
]
] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Sc",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Co"
] | 2023-11-16 06:57:59 | [
0.7272727272727273,
0.09090909090909091,
0.18181818181818182
] | [
[
1.6937097,
0,
0
],
[
0,
1.6937097,
0
],
[
0,
0,
1.6567848
]
] | -54.932478 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
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],
[
0,
0,
0
],
[
0,
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],
[
0,
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[
0,
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[
0,
0,
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[
0,
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[
0,
0,
0.00115802
],
[
0,
0,
0.00115802
],
[
0,
0,
0
]
] | -0.000007 | 4.969502 | pbe | true | 85f9f366e7f0a65ceb93ca4a1540872b_123_Sc2Al8Co1 |
[
"Al",
"Co",
"Tl"
] | 4 | A2BC | Al2CoTl | Al2 Tl1 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
6.87779426,
0.00007165,
-0.00367479
],
[
5.11847581,
4.59404607,
0.00367478
],
[
-5.68902332,
-3.10421802,
2.30280516
]
] | agm004179767 | [
[
2.809017247510802,
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1.1495651831538998
],
[
0.15288069099736834,
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2.3028051551302333
],
[
11.921373517146566,
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],
[
3.7293571993079615,
2.2823658411749523,
1.153239966653434
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Tl",
"Co",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.0264058,
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0.02248032
],
[
-0.09956437,
3.2482612,
-0.05870009
],
[
0.02248032,
-0.05870009,
3.2389932
]
] | -16.996274 | [
0,
0,
0,
0
] | [
[
-0.0042065,
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0
],
[
0.00161703,
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0
],
[
0.00224602,
0.00086014,
0
],
[
0.00034345,
0.00013153,
0
]
] | 0.000072 | 2.729017 | pbe | true | 05288fab763c00b31cafff86f6df313c_44_Al2Tl1Co1 |
[
"Al",
"Co",
"Tl"
] | 4 | A2BC | Al2CoTl | Al2 Tl1 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
4.97548889,
0.01717392,
-1e-8
],
[
1.72586364,
4.66660254,
-1e-8
],
[
-3.3506784,
-2.34188973,
2.83624605
]
] | agm004179275 | [
[
2.4877433775,
0.008586210000000039,
1.4181230150000002
],
[
3.350676265,
2.3418882300000003,
-1e-8
],
[
0,
0,
0
],
[
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Tl",
"Co",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.3213904,
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-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
],
[
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"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 | [
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[
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[
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[
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1.2807803120634196
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[
2.206357391383936,
4.138975896245184,
1.3065076829365807
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"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
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[
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0,
0
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[
0,
3.9243505,
0
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[
0,
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] | -136.529807 | [
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0,
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0,
0,
0,
0,
0,
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0,
0,
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[
0.00263918,
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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0.00372182,
0.0020492
],
[
0.00397097,
-0.00372182,
-0.0020492
]
] | -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 | [
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[
1.99845595,
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[
0,
0,
0
],
[
0,
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Cu",
"Si"
] | 2023-11-16 06:57:59 | [
0.75,
0.125,
0.125
] | [
[
-0.8484891,
0,
0
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[
0,
-0.8484891,
0
],
[
0,
0,
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]
] | -29.74342 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0.00320291
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[
0,
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[
0,
0,
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[
0,
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[
0,
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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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[
-4.24953849,
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[
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[
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[
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[
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[
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[
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[
-4.24953849,
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],
[
-6.62576117155797,
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],
[
-1.8733158084420292,
0.009340769412010785,
2.507283973918495
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}] | [
"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,
0.04348705,
-1e-8
],
[
0,
0.08827695,
-1e-8
],
[
0,
-0.07887966,
1e-8
],
[
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0.02700417,
0
],
[
0.17908627,
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0
],
[
0,
0.0314256,
0
],
[
0.04597283,
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],
[
0.04597283,
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],
[
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0.00820008
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[
-0.04597283,
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[
0,
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1e-8
],
[
0.07204606,
0.01931029,
0
],
[
-0.07204606,
0.01931029,
0
]
] | 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
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[
5.5726876279490165,
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[
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],
[
4.171925790392664,
4.026119707785541,
2.846896544914453
],
[
0,
0,
0
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Na",
"Al",
"Al",
"Al",
"Al",
"Dy"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
0.22945467,
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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],
[
-0.00261522,
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
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[
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"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
],
[
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}] | [
"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,
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7.6941260475
],
[
0,
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[
0,
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[
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[
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[
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0.6620500009433526
],
[
-2.2106885392600245e-8,
2.552683239430083,
9.596784729056647
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}] | [
"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,
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],
[
0,
0,
0
],
[
0,
0,
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],
[
0,
0,
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[
0,
0,
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],
[
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}] | [
"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,
2.96348127
],
[
0,
0,
0
],
[
1.161156562747359,
1.161156562747359,
1.1604039597743567
],
[
1.161156562747359,
4.949679489210479,
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[
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[
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[
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[
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[
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4.766558580225643
],
[
1.8942614672526406,
1.8942614672526406,
4.766558580225643
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"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 | [
-0.001,
-0.001,
-0.001,
-0.008,
0.234,
0.234,
0.234,
0.234,
0.234,
0.234,
0.234,
0.234
] | [
[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
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[
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[
-0.00298095,
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[
-0.00298095,
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[
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[
0.00298095,
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[
0.00298095,
-0.00298095,
-0.00134227
],
[
0.00298095,
0.00298095,
-0.00134227
]
] | 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
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[
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1.535642237548458,
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[
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0.8013110024515422,
2.133023610214822
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[
3.7883405891929454,
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4.087752619785179
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[
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[
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0.5249022231793303,
4.823529920459142
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[
0.4733899900000001,
1.167825715,
3.110388115
],
[
-0.473389985,
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3.110388115
],
[
-2.409174255,
2.33630234,
0
],
[
3.35595423,
-0.000650905,
0
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"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,
0.24742217,
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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0.00024726
],
[
0.00022915,
-0.00009289,
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],
[
0.00095176,
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0.00102699
],
[
0.00095176,
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],
[
-0.00095176,
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0.00102699
],
[
-0.00095176,
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],
[
-0.00022915,
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0.00024726
],
[
-0.00022915,
0.00009289,
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],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Fe",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.337819,
0.14025357,
-0.2362052
],
[
0.14025357,
2.2441304,
0.3279263
],
[
-0.2362052,
0.3279263,
2.2285655
]
] | -22.651614 | [
-0.12,
1.69,
-0.017,
-0.012
] | [
[
-0.00361234,
-0.00260198,
0
],
[
-0.00034094,
-0.00024558,
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
],
[
7.480297439704389,
0.6498481662463617,
3.4249917307739137
],
[
0.2440826402956117,
0.6498481662463617,
3.9622454692260862
],
[
6.457261349704389,
2.9132921462463615,
7.122988210773914
],
[
1.2671187302956115,
2.9132921462463615,
0.2642489892260864
],
[
4.227655438662641,
2.653660816774408,
2.30753622634873
],
[
3.4967246413373596,
2.653660816774408,
5.079700973651271
],
[
3.204619348662641,
0.39021683677440794,
6.005532706348729
],
[
4.519760731337359,
0.39021683677440794,
1.3817044936512703
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"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,
0.00149478,
-0.00161003
],
[
-0.00143545,
0.00149478,
0.00161003
],
[
0.00143545,
0.00149478,
-0.00161003
],
[
-0.00143545,
0.00149478,
0.00161003
],
[
0.00139411,
0.00153838,
0.0016293
],
[
-0.00139411,
0.00153838,
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[
0.00139411,
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0.0016293
],
[
-0.00139411,
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[
0.00170569,
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0.00001254
],
[
-0.00170569,
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],
[
0.00170569,
-0.00303316,
0.00001254
],
[
-0.00170569,
-0.00303316,
-0.00001254
]
] | 0 | 0.443845 | pbe | true | 780c71ee0b18050cfb8de55eff011e41_5_Al4Ga4Sb4 |