pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | ids stringlengths 4 18 | space_group stringclasses 179
values | chemical_system stringlengths 1 19 | energy_above_hull float64 0 0.1 | dft_band_gap float64 0 9.72 ⌀ | dft_bulk_modulus float64 0.54 401 ⌀ | dft_mag_density float64 -0.18 0.24 ⌀ | hhi_score float64 0 9.1k | ml_bulk_modulus float64 1.09 399 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
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1
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7
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1,
1,
1
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[
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1,
1,
1
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[
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3.1257480096275794... | [
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7
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1,
1
] | alex<agm002164410> | P-31m | Co-N | 0.016843 | null | null | 0.003723 | 2,466.330341 | 241.25473 |
[
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46,
46
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1,
1,
1
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[
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[
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7
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1,
1,
1
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7,
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7,
7
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1,
1
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7,
7
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1,
1,
1
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[
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1.529196340001... | [
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7,
7,
7
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1,
1,
1
] | alex<agm004462746> | Pmmn | Co-N | 0.095033 | null | null | 0.000211 | 2,277.532433 | 234.861938 |
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[
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[
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0,... | [
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78,
78,
78
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1,
1,
1
] | mp-1189793 | P6_3/mmc | Pt-Ti | 0.002836 | 0 | null | -0.00021 | 8,532.96205 | 236.011353 |
[
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78,
78,
78
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1,
1,
1
] | mp-12107 | Pm-3m | Pt-Ti | 0.004944 | 0 | 237.057095 | -0.000038 | 8,532.96205 | 235.475952 |
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22,
78,
78,
78,
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78
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1,
1,
1
] | alex<agm002191315> | Pmmn | Pt-Ti | 0.037456 | null | null | 0.000001 | 8,532.96205 | 230.25499 |
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[
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78,
78,
78
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1,
1,
1
] | alex<agm002191314> | I4/mmm | Pt-Ti | 0.041416 | null | null | -0.000001 | 8,532.96205 | 237.752502 |
[
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] | [
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51,
46
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1,
1,
1
] | alex<agm001269955> | P-6m2 | Li-Pd-Sb | 0.074418 | null | null | 0.000004 | 5,505.659639 | 62.89637 |
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[
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1.26091650... | [
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22,
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22,
78,
78
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1,
1,
1
] | mp-2339 | Pm-3n | Pt-Ti | 0 | 0 | 166.493782 | 0.000009 | 5,920.031888 | 162.984497 |
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1,
1,
1
] | mp-30851 | Ibam | Pt-Ti | 0 | 0 | 201.513885 | -0.000065 | 8,137.544872 | 208.6987 |
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78,
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78,
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78
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1,
1
] | alex<agm002190791> | P4/mmm | Pt-Ti | 0.048791 | null | null | 0.000604 | 8,137.544872 | 196.831589 |
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2.798623212764550... | [
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] | [
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78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002358599> | Cmmm | Pt-Ti | 0.081125 | null | null | 0.009937 | 8,137.544872 | 219.599533 |
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78,
78,
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78,
78
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1,
1,
1
] | mp-30852 | I4/mmm | Pt-Ti | 0 | 0 | 241.602383 | -0 | 8,876.81455 | 241.340317 |
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] | [
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78
] | [
1,
1,
1
] | alex<agm002191305> | Cmcm | Pt-Ti | 0.020922 | null | null | 0.000703 | 7,622.32549 | 194.120682 |
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1.18796885... | [
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1,
1
] | alex<agm002244989> | Pmma | Pt-Ti | 0.017528 | null | null | 0.005559 | 7,622.32549 | 203.939743 |
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] | [
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] | alex<agm001417661> | P2_1/m | Pt-Ti | 0 | null | null | 0.000863 | 7,622.32549 | 196.887558 |
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[
2.107173485,
0,
1.7535597070936362
],
[
0,
0,
0
],
[
2.107173485,
... | [
[
4.21434697,
0,
2.5805432636534234e-16
],
[
-2.5805432636534234e-16,
4.21434697,
2.5805432636534234e-16
],
[
0,
0,
6.37997165
]
] | [
3,
3,
51,
51,
46,
46
] | [
1,
1,
1
] | alex<agm002386376> | P4/nmm | Li-Pd-Sb | 0.038502 | null | null | 0 | 5,505.659639 | 52.292763 |
[
[
-2.2728513924136704e-16,
3.711848010375102,
3.616001646837512
],
[
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1.0306721852259664,
1.004058439006528
],
[
1.40115192,
1.3652092278472523,
3.342747470813179
],
[
1.4011519199999998,
3.3773109677538162,
1.2773126150308611
]
] | [
[
2.80230384,
0,
1.7159162139471683e-16
],
[
-2.903956088717264e-16,
4.7425201956010685,
-0.12408308415596027
],
[
0,
0,
4.74414317
]
] | [
22,
22,
78,
78
] | [
1,
1,
1
] | alex<agm002244990> | Cmmm | Pt-Ti | 0.017178 | null | null | 0.000679 | 7,622.32549 | 195.387451 |
[
[
1.4011211149999998,
2.5077664129352892,
4.130589186185019
],
[
1.4011211149999998,
3.9860042263829336,
1.0257202251753899
],
[
1.401121115,
1.4744499793757517,
-0.5081364910898474
],
[
-1.0877331390427742e-17,
0.17764030246110085,
4.8213792957464845
],... | [
[
2.80224223,
0,
1.7158784887025207e-16
],
[
-2.789425532384698e-16,
4.555477602728892,
-1.5699443430892681
],
[
0,
0,
7.39424347
]
] | [
22,
22,
22,
78,
78,
78
] | [
1,
1,
1
] | alex<agm004452989> | Amm2 | Pt-Ti | 0.028754 | null | null | 0.000249 | 7,622.32549 | 198.751007 |
[
[
1.1655857925,
1.4951426440955073,
1.1253389393739897
],
[
3.4967573775,
3.041476360945325,
4.865332207937885
],
[
1.1655857925,
0.5125595094270169,
5.714833205983558
],
[
3.4967573774999994,
4.024059495613815,
0.275837941328317
],
[
3.4967573775,... | [
[
4.66234317,
0,
2.854861819833512e-16
],
[
-2.7778779717371527e-16,
4.536619005040833,
-1.523918182688125
],
[
0,
0,
7.51458933
]
] | [
22,
22,
22,
22,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002190647> | Cmcm | Pt-Ti | 0.018677 | null | null | -0 | 8,045.639117 | 199.937714 |
[
[
0,
0,
0
],
[
-0.7738566443013373,
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],
[
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1.1787701343077652,
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]
] | [
[
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0,
0.8198638983398955
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[
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3.476711706898596,
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],
[
0.4402724048329272,
-3.476711706898596,
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]
] | [
22,
78,
78
] | [
1,
1,
1
] | alex<agm002191313> | Immm | Pt-Ti | 0.041598 | null | null | -0 | 8,280.42508 | 223.847855 |
[
[
1.155862575,
0.9071687377512395,
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[
3.467587725,
3.2755844909975464,
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[
3.467587725,
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2.974282789834694
],
[
1.1558625749999998,
3.5765573020168286,
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],
[
1.1558625... | [
[
4.6234503,
0,
2.831046805455935e-16
],
[
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4.182753228748786,
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],
[
0,
0,
4.89585276
]
] | [
22,
22,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002191312> | Cmcm | Pt-Ti | 0.060605 | null | null | 0.00001 | 8,280.42508 | 213.66745 |
[
[
1.1210443849999996,
5.925887050777432,
2.2908497958966865
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[
3.363133155,
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[
1.1210443849999998,
2.9478429357774325,
1.5199775091033145
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[
3.363133155,
3.0082452942225673,
6.101677100896686
],
[
3.363... | [
[
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0,
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[
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5.95608823,
3.647052193154362e-16
],
[
0,
0,
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]
] | [
22,
22,
22,
22,
22,
22,
22,
22,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002190646> | Pnma | Pt-Ti | 0.07133 | null | null | 0.006798 | 6,631.084733 | 154.916122 |
[
[
2.102270557611096,
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1.4441770214170864
],
[
0.9140476512777034,
1.0069390510349883,
2.9426284049541476
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[
0,
0,
0
]
] | [
[
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[
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0,
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],
[
-0.29103416195129017,
3.0022449356858685,
4.386805426371234
]
] | [
22,
22,
78
] | [
1,
1,
1
] | alex<agm002190645> | I4/mmm | Pt-Ti | 0.039083 | null | null | -0.000068 | 6,631.084733 | 165.23616 |
[
[
0,
0,
0
],
[
0.8635362801122923,
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],
[
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-3.40816516078231,
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],
[
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],
[
1.042390911103417,
-4.78547467590... | [
[
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0,
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],
[
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1.117287703762923
],
[
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0,
-6.377170961261486
]
] | [
22,
22,
22,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003291108> | C2/m | Pt-Ti | 0.016087 | null | null | 0.000003 | 8,386.366717 | 228.86673 |
[
[
2.2189587299249403,
-1.2642562774315458,
0.8083966568027258
],
[
0.812751307786212,
0.947715433739709,
2.0817085324263402
],
[
3.1546822512873827,
-0.17314806952974907,
3.2050753271292107
]
] | [
[
0.5035084002899802,
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[
3.303172309527388,
0,
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],
[
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3.264571426277257,
3.585404494854121
]
] | [
3,
51,
46
] | [
1,
1,
1
] | alex<agm001838243> | I4mm | Li-Pd-Sb | 0.053654 | null | null | 0.000033 | 5,505.659639 | 70.272217 |
[
[
1.0082115111613859,
3.6004387518670247,
2.8099548511995476
],
[
4.3402029297053115,
0.7752655840760636,
1.2296981433602372
],
[
3.295915100269754,
1.59746769693758,
4.386191194963374
],
[
1.6207021174143919,
2.3727332810136437,
0.06500620855620146
],
... | [
[
5.257827255667982,
0,
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[
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5.973172032880668,
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[
0,
0,
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]
] | [
22,
22,
22,
22,
22,
22,
78,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003290175> | R-3 | Pt-Ti | 0.054055 | null | null | -0.000005 | 7,934.32799 | 188.971176 |
[
[
0,
0,
0
],
[
2.4524616903899585,
0,
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[
1.2711734456511847,
0,
3.850694174639172
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[
1.8618175680205713,
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[
0.6138868294704475,
1.998759305,
1.859612791488872
],
[
3.10974830... | [
[
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0,
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],
[
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3.99751861,
2.4477741851342385e-16
],
[
0,
0,
6.25451374
]
] | [
22,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002244994> | Cmmm | Pt-Ti | 0 | null | null | -0.00012 | 8,749.16734 | 237.108078 |
[
[
0,
0,
0
],
[
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6.868459673925333,
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[
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4.440892098500626e-16
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[
-2.4283672058694736,
6.868459673925335,
-1.4020184599999996
],
[
0.809455735289825,
9.1579462319... | [
[
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4.578973115950223,
2.8040369200000006
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[
1.6189114705796492,
4.578973115950223,
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],
[
-3.237822941159298,
4.578973115950223,
0
]
] | [
22,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002358709> | Fm-3m | Pt-Ti | 0.096242 | null | null | 0.000001 | 8,846.010662 | 239.826065 |
[
[
0.19765248611050978,
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[
1.150373084073107,
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[
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],
[
1.770429094490279,
-1.9686704718011765,
-1.5721220335839639... | [
[
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0,
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],
[
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],
[
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0,
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]
] | [
22,
22,
22,
22,
22,
22,
22,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003291107> | C2/m | Pt-Ti | 0.093701 | null | null | 0.002064 | 6,369.411977 | 157.322449 |
[
[
4.771356940062606,
6.100182311245809,
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[
0.34580380443599007,
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[
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],
[
4.399646325304318,
1.8311266087713036,
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],
[
... | [
[
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],
[
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0,
4.1275144489760397e-16
],
[
0,
0,
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]
] | [
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20,
20,
20,
20,
20,
81,
81,
81,
81,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | mp-1189230 | Cmcm | Ca-Tl | 0.007417 | 0 | null | null | 5,973.650802 | 26.536266 |
[
[
0,
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0
],
[
1.9538794999999998,
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]
] | [
[
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0,
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[
-2.392812275594631e-16,
3.907759,
2.392812275594631e-16
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[
0,
0,
3.907759
]
] | [
20,
81
] | [
1,
1,
1
] | mp-2861 | Pm-3m | Ca-Tl | 0 | 0 | null | 0.000026 | 5,680.279251 | 26.649815 |
[
[
1.9318719799999997,
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[
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0
]
] | [
[
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[
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3.86374396,
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],
[
0,
0,
4.00652721
]
] | [
20,
81
] | [
1,
1,
1
] | alex<agm003272640> | P4/mmm | Ca-Tl | 0.001706 | null | null | -0 | 5,680.279251 | 24.803061 |
[
[
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[
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[
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[
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]
] | [
[
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0,
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[
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],
[
0,
0,
6.40628957
]
] | [
20,
20,
81,
81
] | [
1,
1,
1
] | alex<agm003188372> | Cmcm | Ca-Tl | 0.043567 | null | null | -0.000142 | 5,680.279251 | 25.122566 |
[
[
1.0599636149999998,
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[
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[
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[
3.179890845,
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],
[
1.059963... | [
[
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0,
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[
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[
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0,
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]
] | [
3,
3,
51,
51,
46,
46
] | [
1,
1,
1
] | alex<agm001046107> | P2_1/m | Li-Pd-Sb | 0.036647 | null | null | -0.000227 | 5,505.659639 | 56.632824 |
[
[
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[
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[
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[
1.4225178775000002,
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],
[
1.4225178775... | [
[
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[
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],
[
3.890896552078502e-16,
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]
] | [
20,
20,
20,
20,
20,
20,
81,
81
] | [
1,
1,
1
] | mp-984744 | P6_3/mmc | Ca-Tl | 0.047285 | 0 | null | null | 4,648.06543 | 20.826025 |
[
[
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[
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[
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],
[
-10.830264465215695,
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5.711999416733... | [
[
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0,
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],
[
-3.1213376337277543,
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],
[
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0,
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]
] | [
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20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003296620> | I-4 | Ca-Tl | 0.007269 | null | null | 0.000003 | 4,648.06543 | 20.674461 |
[
[
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0
],
[
2.45875652,
0,
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],
[
-1.5178378574893612e-16,
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],
[
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]
] | [
[
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0,
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[
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[
0,
0,
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]
] | [
20,
20,
20,
81
] | [
1,
1,
1
] | alex<agm004107845> | P4/mmm | Ca-Tl | 0.065765 | null | null | 0.000046 | 4,648.06543 | 20.566208 |
[
[
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[
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[
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1.128850532892376,
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],
[
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0,
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]
] | [
[
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[
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],
[
0.7235518369117482,
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]
] | [
20,
20,
20,
81
] | [
1,
1,
1
] | alex<agm003163266> | Immm | Ca-Tl | 0.060713 | null | null | -0.000004 | 4,648.06543 | 20.075989 |
[
[
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[
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[
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],
[
1.9153757099999997,
1.91537571,
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]
] | [
[
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0,
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],
[
-2.345658732416089e-16,
3.83075142,
2.345658732416089e-16
],
[
0,
0,
9.78120053
]
] | [
20,
20,
20,
81
] | [
1,
1,
1
] | alex<agm003269796> | P4/mmm | Ca-Tl | 0.041413 | null | null | 0 | 4,648.06543 | 19.595873 |
[
[
2.858441065,
2.4712654012453252,
3.263503982141144e-16
],
[
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4.062481428754674,
3.6054392950000005
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[
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1.811503290819265
],
[
-6.341568290172717e-17,
1.0356566962144456,
5.39937529918073... | [
[
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0,
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[
-4.000766070899333e-16,
6.53374683,
4.000766070899333e-16
],
[
0,
0,
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]
] | [
20,
20,
20,
20,
20,
20,
81,
81
] | [
1,
1,
1
] | alex<agm003261214> | Pmmn | Ca-Tl | 0.063908 | null | null | 0.000106 | 4,648.06543 | 21.336878 |
[
[
2.5929206296122884,
0,
9.066469584970184
],
[
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-2.58423319730595,
-0.7415496550298158
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[
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4.904009619999999
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[
3.7833430108629686,
1.292116598652975,
3.4209103099403673
],
[
4.5924760803... | [
[
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1.483099310059632
],
[
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0,
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[
-0.4241517342218559,
5.1684663946119,
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]
] | [
20,
20,
20,
20,
20,
20,
81,
81
] | [
1,
1,
1
] | alex<agm003261215> | I4/mmm | Ca-Tl | 0.061986 | null | null | 0.000036 | 4,648.06543 | 22.643459 |
[
[
0,
0,
0
],
[
-1.4990332007601146e-16,
2.448107,
2.448107
],
[
2.448107,
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],
[
2.448107,
0,
2.448107
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] | [
[
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0,
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[
-2.998066401520229e-16,
4.896214,
2.998066401520229e-16
],
[
0,
0,
4.896214
]
] | [
20,
81,
81,
81
] | [
1,
1,
1
] | mp-526 | Pm-3m | Ca-Tl | 0 | 0 | null | -0.000013 | 6,193.231107 | 30.034842 |
[
[
0,
0,
0
],
[
2.021519495,
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],
[
0,
0,
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],
[
2.021519495,
2.021519495,
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] | [
[
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0,
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[
-2.475647378965724e-16,
4.04303899,
2.475647378965724e-16
],
[
0,
0,
7.35830516
]
] | [
20,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003188813> | P4/mmm | Ca-Tl | 0.049374 | null | null | -0 | 6,193.231107 | 27.961857 |
[
[
-1.1262052593574734,
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[
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[
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3.7664738286455055
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[
1.1369875533119023,
1.3268098038600227,
1.2185845930598365
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[
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0,
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[
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],
[
0,
0,
5.13804026
]
] | [
3,
51,
51,
46,
46
] | [
1,
1,
1
] | alex<agm003394600> | C2/m | Li-Pd-Sb | 0.019793 | null | null | 0.000041 | 5,525.220537 | 82.818695 |
[
[
0,
0,
0
],
[
-0.8894157022974745,
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1.76298114197422
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[
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2.7057088510768215,
-1.7629811426610273
],
[
1.7788314077581282,
0,
2.8382709553647527
]
] | [
[
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0,
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[
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5.411417702153643,
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],
[
0,
0,
6.36423324
]
] | [
20,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003188815> | R-3m | Ca-Tl | 0.07372 | null | null | 0.000014 | 6,193.231107 | 28.846209 |
[
[
0,
6.792519490649184,
7.519578815173843e-16
],
[
-2.220446049250313e-16,
3.396259745324592,
8.3778194825967475e-16
],
[
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10.188779235973778,
5.551115123125783e-16
],
[
0,
0,
0
]
] | [
[
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[
1.6010121977266112,
4.528346327099457,
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],
[
-3.202024395453222,
4.528346327099457,
0
]
] | [
20,
81,
81,
81
] | [
1,
1,
1
] | alex<agm002260536> | Fm-3m | Ca-Tl | 0.063595 | null | null | -0 | 6,193.231107 | 26.819017 |
[
[
-2.2318395272600395,
0,
-5.107275718600395
],
[
0.42813190452849026,
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[
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],
[
-0.9012016989118522,
-1.0964858922983798,
-2.0622833154113542
]
] | [
[
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0,
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],
[
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],
[
0.8562638090569804,
-4.389117252096167,
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]
] | [
20,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003188814> | I4/mmm | Ca-Tl | 0.024689 | null | null | -0 | 6,193.231107 | 27.581728 |
[
[
0,
0,
0
],
[
2.6483730981122835,
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[
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0,
2.8811908228142933
],
[
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2.675311215,
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]
] | [
[
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0,
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[
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5.35062243,
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],
[
0,
0,
6.18516576
]
] | [
20,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003188816> | P2/m | Ca-Tl | 0.0755 | null | null | -0.00001 | 6,193.231107 | 28.35603 |
[
[
0,
0,
9.568907271702372
],
[
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[
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[
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],
[
0,
0,
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],
[
1.9385815649999998,
1.938581565,
7.614... | [
[
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0,
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[
-2.3740777084633164e-16,
3.87716313,
2.3740777084633164e-16
],
[
0,
0,
15.22813883
]
] | [
20,
20,
20,
20,
20,
81
] | [
1,
1,
1
] | alex<agm003299310> | P4/mmm | Ca-Tl | 0.013645 | null | null | 0.000409 | 4,024.663806 | 18.376728 |
[
[
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[
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0,
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[
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2.760554605,
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[
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0,
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[
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2.760554605,
2... | [
[
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0,
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[
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5.52110921,
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[
0,
0,
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]
] | [
20,
20,
20,
20,
20,
81
] | [
1,
1,
1
] | alex<agm001193752> | Cmmm | Ca-Tl | 0.054121 | null | null | 0.000174 | 4,024.663806 | 19.148579 |
[
[
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-5.201586268846139,
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[
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[
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],
[
-0.7207778193912094,
-1.641457074551582,
-4.843950462821581
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[
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0,
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[
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],
[
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0,
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]
] | [
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003288568> | C2/c | Ca-Tl | 0.015889 | null | null | -0 | 4,855.184857 | 21.085384 |
[
[
-6.146406372867195,
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[
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[
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[
-11.884437391770556,
-2.650523483346524,
3.979408536340172
... | [
[
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0,
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[
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],
[
-6.146406371904489,
0,
7.337110913433191
]
] | [
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003218162> | I4/mcm | Ca-Tl | 0.049834 | null | null | 0.000062 | 5,268.407057 | 23.433519 |
[
[
-1.0039184103172172e-16,
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[
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[
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],
[
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],... | [
[
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0,
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[
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],
[
0,
0,
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]
] | [
20,
20,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm002331390> | P2/m | Ca-Tl | 0.042527 | null | null | -0 | 6,053.542585 | 26.133242 |
[
[
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[
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[
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0,
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[
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[
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0,
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[
3.3556605329... | [
[
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0,
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[
-2.6489347357177563e-16,
4.32603872,
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],
[
0,
0,
5.517164
]
] | [
3,
51,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003736528> | Cmmm | Li-Pd-Sb | 0 | null | null | 0.000105 | 6,942.114178 | 119.806725 |
[
[
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[
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[
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[
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[
... | [
[
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0,
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[
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],
[
0,
0,
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] | [
20,
20,
20,
20,
81,
81,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm002261108> | I4_1/amd | Ca-Tl | 0.029358 | null | null | -0 | 6,053.542585 | 26.62845 |
[
[
0.23522606532999824,
-2.021016588350372,
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[
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[
1.286464378743876,
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] | [
[
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[
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],
[
-3.6805974642720654,
0,
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]
] | [
20,
81,
81
] | [
1,
1,
1
] | alex<agm003196516> | Immm | Ca-Tl | 0.060888 | null | null | -0 | 6,053.542585 | 26.851278 |
[
[
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-1.926476237088509,
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[
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[
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]
] | [
[
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[
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0,
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[
-0.49399958722893395,
3.852952474177018,
4.753752967640655
]
] | [
20,
81,
81
] | [
1,
1,
1
] | alex<agm003158005> | I4/mmm | Ca-Tl | 0.05912 | null | null | -0 | 6,053.542585 | 26.917953 |
[
[
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0,
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[
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[
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[
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],
[
-2.5426661600000005,
-1.4680089919353525,
-3.639457739276386... | [
[
-2.5426661600000005,
-4.404026975806056,
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],
[
-2.5426661599999996,
4.404026975806056,
3.113867974144292e-16
],
[
0,
0,
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]
] | [
20,
20,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm002141864> | P6_3/mmc | Ca-Tl | 0.041988 | null | null | 0 | 6,053.542585 | 28.545353 |
[
[
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0,
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[
2.399168146588712,
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[
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[
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[
2.399168145,
0,
... | [
[
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0,
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[
-2.3991681425970475,
5.355173916130863,
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],
[
0,
0,
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]
] | [
20,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003196520> | C2/m | Ca-Tl | 0.020763 | null | null | -0.000043 | 6,311.307874 | 25.896675 |
[
[
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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,
0,
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]
] | [
20,
20,
81,
81,
81,
81,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003298941> | P2_1/m | Ca-Tl | 0.029012 | null | null | -0 | 6,311.307874 | 25.951113 |
[
[
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[
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[
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[
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[
-1.3991283032182136,
-0.905654250... | [
[
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],
[
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0,
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[
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0,
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]
] | [
20,
20,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003287596> | R-3m | Ca-Tl | 0.068625 | null | null | -0.000026 | 5,921.92905 | 27.194191 |
[
[
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[
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[
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[
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81
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1,
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[
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1,
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[
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81,
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81
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1,
1
] | alex<agm002140950> | Pnma | Ca-Tl | 0 | null | null | -0 | 5,091.477522 | 22.881283 |
[
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81
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1,
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[
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] | [
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1,
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] | alex<agm003201190> | P6_3/mmc | Ca-Tl | 0.027561 | null | null | 0.000998 | 5,091.477522 | 24.373569 |
[
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1,
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[
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[
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20,
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81
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1,
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[
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81
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46
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1,
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81
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[
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[
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81
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1,
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] | alex<agm003290216> | R-3 | Ca-Tl | 0.022368 | null | null | -0 | 5,463.672289 | 24.643223 |
[
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1,
1,
1
] | alex<agm003547018> | P6_3/m | Li-Pd-Sb | 0.088909 | null | null | -0.0009 | 6,615.929223 | 67.39563 |
[
[
0.7445479999999999,
1.2867779826534926,
7.7937504821537384
],
[
2.233644,
1.7102384179620675,
1.0349970995340994
],
[
0.7445479999999999,
2.112965493811184,
3.4742324485124243
],
[
2.233644,
0.884050906804376,
5.354515133175413
],
[
0.744548,
... | [
[
2.978192,
0,
1.823616650023127e-16
],
[
-1.8351432710029836e-16,
2.99701640061556,
-0.494818858312163
],
[
0,
0,
9.32356644
]
] | [
23,
23,
23,
23,
5,
5,
5,
5,
5,
5
] | [
1,
1,
1
] | mp-9208 | Cmcm | B-V | 0 | 0 | 280.358204 | 0.000033 | 3,061.944966 | 299.659363 |
[
[
0.7444702699999999,
1.6364399834451648,
3.816077719654372
],
[
2.23341081,
2.6714073765548356,
1.8556341703456285
],
[
2.2334108099999996,
3.7903636634451647,
4.691490115345629
],
[
0.74447027,
0.5174836965548352,
0.9802217746543717
],
[
0.744470... | [
[
2.97788108,
0,
1.8234262664317315e-16
],
[
-2.637795740319688e-16,
4.30784736,
2.637795740319688e-16
],
[
0,
0,
5.67171189
]
] | [
23,
23,
23,
23,
5,
5,
5,
5
] | [
1,
1,
1
] | alex<agm002138146> | Pnma | B-V | 0.00976 | null | null | 0.000002 | 3,154.902231 | 270.689728 |
[
[
-3.8624226673244406,
-1.9083332524577448,
1.510911799325889
],
[
-2.454519589744503,
0,
0.5920711372149129
],
[
-6.3169422578970265,
-3.1935019606586748,
2.1029829363252293
],
[
-5.968070084707944,
0,
4.83537138526629
],
[
-6.316942257470472,
... | [
[
-4.211294837226223,
0,
-1.221476648759398
],
[
-2.1056474210723297,
-3.8166665049154895,
-0.6107383250199004
],
[
-4.211294837226223,
0,
6.6489191712406015
]
] | [
23,
23,
23,
23,
23,
23,
23,
23,
5,
5,
5,
5
] | [
1,
1,
1
] | alex<agm002138148> | Fddd | B-V | 0.061117 | null | null | -0.000025 | 3,265.694713 | 249.604172 |
[
[
-1.0065387467824456,
-0.5617016914780671,
2.750176989419009
],
[
-1.53924523650842,
1.143591841505061,
0.5563053048794475
],
[
-3.2283888334627497,
0.5617016914780669,
-1.630314310580991
],
[
-2.6956823437367756,
-1.1435918415050612,
0.5635573739585705
... | [
[
-1.7244480492820156,
-3.4105870659662565,
-2.140765942323965
],
[
0,
0,
4.3804913
],
[
-2.51047953096318,
3.4105870659662565,
-1.1198626788380175
]
] | [
23,
23,
23,
23,
5,
5
] | [
1,
1,
1
] | alex<agm002138147> | I4/mcm | B-V | 0.054005 | null | null | -0.000007 | 3,265.694713 | 247.826172 |
[
[
0,
0,
0
],
[
2.5960358146204214,
-1.3992620647697362,
1.080496466395689
],
[
1.2062480160847813,
1.3992620647697362,
3.1424032795482395
],
[
2.711646485822961,
0.9401949546518078,
1.381674455943929
],
[
1.0906373448822415,
-0.9401949546518074... | [
[
0.5602655488237638,
-3.7607798186072303,
1.4595508340560717
],
[
3.802283830705202,
0,
-1.4595508340560717
],
[
-0.5602655488237638,
3.7607798186072303,
4.222899745943929
]
] | [
62,
15,
15,
44,
44
] | [
1,
1,
1
] | mp-12059 | I4/mmm | P-Ru-Sm | 0 | 0 | null | -0.000018 | 5,788.835096 | 155.571838 |
[
[
-1.2370073644194863e-16,
2.020186335,
1.242128655349846
],
[
2.020186335,
0,
5.855076154650154
],
[
-1.2370073644194863e-16,
2.020186335,
4.862343631183949
],
[
2.020186335,
0,
2.2348611788160517
],
[
0,
0,
3.548602405
],
[
2.0201... | [
[
4.04037267,
0,
2.4740147288389725e-16
],
[
-2.4740147288389725e-16,
4.04037267,
2.4740147288389725e-16
],
[
0,
0,
7.09720481
]
] | [
62,
62,
15,
15,
44,
44
] | [
1,
1,
1
] | alex<agm003607135> | P4/nmm | P-Ru-Sm | 0.081846 | null | null | 0.000166 | 5,073.02798 | 135.543869 |
[
[
3.715178218541567,
2.491510641458433,
5.594855071458434
],
[
2.4915106414584325,
5.594855071458433,
3.7151782185415674
],
[
0.6118337885415672,
0.6118337885415672,
0.6118337885415672
],
[
5.594855071458433,
3.715178218541567,
2.4915106414584334
],
[
... | [
[
6.20668886,
0,
3.8005008228512673e-16
],
[
-3.8005008228512673e-16,
6.20668886,
3.8005008228512673e-16
],
[
0,
0,
6.20668886
]
] | [
62,
62,
62,
62,
15,
15,
15,
15,
44,
44,
44,
44
] | [
1,
1,
1
] | alex<agm002350550> | P2_13 | P-Ru-Sm | 0.08695 | null | null | 0 | 5,073.02798 | 122.398788 |
[
[
1.90449665,
0,
1.1661678632046786e-16
],
[
-2.3068607828975776e-16,
3.76738956,
3.7673895600000002
],
[
-3.5764785245377856e-16,
5.840832682578959,
1.6939464374210402
],
[
-1.0372430412573694e-16,
1.6939464374210398,
5.840832682578959
],
[
1.9044... | [
[
3.8089933,
0,
2.332335726409357e-16
],
[
-4.613721565795155e-16,
7.53477912,
4.613721565795155e-16
],
[
0,
0,
7.53477912
]
] | [
62,
62,
15,
15,
15,
15,
44,
44,
44,
44,
44,
44,
44,
44
] | [
1,
1,
1
] | alex<agm003456366> | P4_2/mnm | P-Ru-Sm | 0.073122 | null | null | -0.000013 | 6,513.736033 | 191.506134 |
[
[
3.0146179999999996,
2.593105265950112,
4.4913900700000005
],
[
3.0146180000000005,
-2.5931052659501113,
4.49139007
],
[
6.029236,
-2.593105265950112,
4.49139007
],
[
6.029236,
2.5931052659501126,
4.49139007
],
[
4.521927,
-9.608926766117442e-... | [
[
6.029236,
0,
3.691842284351996e-16
],
[
-4.763457095696927e-16,
7.7793157978503364,
4.491390070000001
],
[
4.763457095696927e-16,
-7.7793157978503364,
4.491390069999998
]
] | [
40,
40,
40,
40,
40,
40,
40,
40,
40,
40,
49,
49,
82,
82,
82,
82,
82,
82
] | [
1,
1,
1
] | mp-1190391 | P6_3/mcm | In-Pb-Zr | 0 | 0 | null | 0.000042 | 2,125.238776 | 85.314255 |
[
[
0.72566634535543,
4.374541181110648,
2.1821316995115474
],
[
0.7256663453554301,
1.5089582888893525,
2.182131699511547
],
[
2.0732616874596626,
1.5852047942508811,
-0.6894617230000525
],
[
2.073261687459662,
4.298294675749119,
-0.6894617230000524
],
... | [
[
4.146523374919325,
0,
-1.3789234460001052
],
[
-3.6026043968603245e-16,
5.88349947,
3.6026043968603245e-16
],
[
0,
0,
6.92391084
]
] | [
3,
3,
3,
3,
3,
3,
51,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003677491> | Cmmm | Li-Pd-Sb | 0.062747 | null | null | -0.000392 | 6,967.153698 | 66.619408 |
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