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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[
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[
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[
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] | alex<agm003421577> | C2/m | Ag-Al-Li | 0.098044 | null | null | 0 | 1,357.371186 | 66.66185 |
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] | alex<agm003576150> | P2_1/m | Ag-Al-Li | 0.073054 | null | null | 0 | 1,382.392685 | 67.06781 |
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] | alex<agm003690605> | R-3 | Ag-Al-Li | 0.038877 | null | null | -0.000089 | 1,693.637034 | 31.700506 |
[
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] | alex<agm003391485> | C2/c | Ag-Al-Li | 0.017284 | null | null | -0.000034 | 1,498.366893 | 49.314884 |
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] | alex<agm003515744> | C2/m | Ag-Al-Li | 0.036026 | null | null | 0 | 1,431.06517 | 52.049976 |
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] | alex<agm003551830> | C2/m | Ag-Al-Li | 0.056496 | null | null | -0 | 1,576.943465 | 42.009041 |
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1,
1
] | alex<agm003466461> | I4/mmm | Ag-Al-Li | 0.054892 | null | null | -0.000156 | 1,711.370736 | 34.061443 |
[
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1,
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] | alex<agm003158518> | I4mm | Ag-Al-Li | 0.034017 | null | null | -0 | 1,460.950275 | 59.256363 |
[
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1,
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1,
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] | alex<agm003329633> | Cmcm | Ag-Al-Li | 0.095341 | null | null | 0.000054 | 1,415.514506 | 61.686176 |
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[
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] | alex<agm002184340> | F-43m | Cu-Sc | 0 | null | null | -0.000001 | 1,871.858215 | 118.482353 |
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] | alex<agm003759819> | C2/c | Ag-Al-Li | 0.083638 | null | null | 0 | 1,909.460162 | 31.44276 |
[
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] | alex<agm003677156> | Immm | Ag-Al-Li | 0.002426 | null | null | -0.000218 | 1,521.85344 | 52.131577 |
[
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] | alex<agm003690604> | R-3 | Ag-Al-Li | 0.079382 | null | null | -0.00008 | 1,477.632148 | 44.638596 |
[
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1,
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] | alex<agm003318832> | C2/m | Ag-Al-Li | 0.090172 | null | null | -0.000125 | 1,759.608018 | 35.315903 |
[
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] | alex<agm003576151> | Cmc2_1 | Ag-Al-Li | 0.076704 | null | null | -0.000002 | 1,669.779486 | 33.788506 |
[
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1,
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] | alex<agm003310488> | C2/m | Ag-Al-Li | 0.02954 | null | null | 0.000016 | 1,420.903177 | 59.997253 |
[
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1,
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] | alex<agm003305380> | P-1 | Ag-Al-Li | 0.048434 | null | null | 0 | 1,444.154767 | 59.704086 |
[
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] | alex<agm003331964> | Immm | Ag-Al-Li | 0.05464 | null | null | -0 | 1,492.168746 | 55.96413 |
[
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] | alex<agm003766439> | Amm2 | Ag-Al-Li | 0.025653 | null | null | -0.000006 | 1,999.5396 | 26.692196 |
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1,
1,
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] | alex<agm003484509> | R-3m | Ag-Al-Li | 0.073306 | null | null | -0 | 1,772.115343 | 34.602413 |
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29,
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1,
1,
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] | alex<agm002184339> | P6/mmm | Cu-Sc | 0.035823 | null | null | 0 | 1,871.858215 | 115.43351 |
[
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[
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] | alex<agm003522178> | C2/m | Ag-Al-Li | 0.047825 | null | null | -0.000059 | 2,015.99933 | 30.351404 |
[
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] | alex<agm003736032> | C2/m | Ag-Al-Li | 0.097723 | null | null | -0.000243 | 1,293.435589 | 71.159195 |
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0,
-3.08148471164272
],
[
0,
0,
-6.96126082
]
] | [
3,
3,
3,
3,
3,
3,
13,
47,
47,
47,
47,
47,
47,
47,
47
] | [
1,
1,
1
] | alex<agm003697798> | R-3 | Ag-Al-Li | 0.076482 | null | null | -0 | 1,513.588703 | 42.866295 |
[
[
3.009137999999999,
2.4790103882846126,
4.2937719450000005
],
[
3.009138,
-2.4790103882846126,
4.293771944999999
],
[
1.5179560685328944e-16,
-2.479010388284613,
4.293771945
],
[
6.018276,
2.479010388284613,
4.2937719450000005
],
[
4.513707,
-... | [
[
6.018276,
0,
3.685131219892668e-16
],
[
-4.553868205598683e-16,
7.437031164853839,
4.293771945000001
],
[
4.553868205598683e-16,
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4.293771944999998
]
] | [
40,
40,
40,
40,
40,
40,
40,
40,
40,
40,
50,
50,
50,
50,
50,
50,
16,
16
] | [
1,
1,
1
] | mp-1189510 | P6_3/mcm | S-Sn-Zr | 0 | 0 | null | 0.000001 | 2,117.438397 | 116.681381 |
[
[
-2.5852305760870147,
-1.532187280968496,
-5.249021126703041
],
[
0,
0,
0
],
[
-0.5578062047998904,
-0.3305947176028344,
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],
[
-4.612654947374139,
-2.7337798443341574,
-4.189969689866069
]
] | [
[
-1.6771499253023028,
-3.064374561936992,
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],
[
-3.493311226871727,
0,
-0.696857231703041
],
[
0,
0,
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]
] | [
40,
50,
16,
16
] | [
1,
1,
1
] | alex<agm002781565> | R-3m | S-Sn-Zr | 0.063217 | null | null | 0 | 1,792.458696 | 72.018341 |
[
[
-1.7702074450000003,
-1.02202974489223,
-4.428483885
],
[
-1.770207445,
1.0220297448922298,
-13.285451655000001
],
[
0,
0,
0
],
[
0,
0,
-8.85696777
],
[
0,
0,
-11.687332807083239
],
[
0,
0,
-2.8303650370832387
],
[
... | [
[
-1.7702074450000005,
-3.066089234676689,
-4.3357577626921286e-16
],
[
-1.7702074449999996,
3.066089234676689,
2.1678788813460643e-16
],
[
0,
0,
-17.71393554
]
] | [
40,
40,
50,
50,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm002182139> | P6_3/mmc | S-Sn-Zr | 0.087338 | null | null | 0.006189 | 1,792.458696 | 66.201149 |
[
[
3.3160907237243197e-16,
6.948588880344109,
1.4010864965439395e-15
],
[
-2.339664584979034,
10.257374267825478,
1.4010864965439395e-15
],
[
1.169832292489518,
10.257374267825478,
-2.026208966926619
],
[
1.169832292489518,
10.25737426782548,
2.026208966926... | [
[
2.2227142519010115,
6.286785280636757,
3.849854015000001
],
[
2.2227142519010115,
6.286785280636757,
-3.849854014999999
],
[
-4.445428503802022,
6.286785280636757,
0
]
] | [
40,
40,
40,
40,
50,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003671309> | F-43m | S-Sn-Zr | 0.083994 | null | null | 0.001837 | 1,885.064975 | 30.496437 |
[
[
2.1039524899999993,
3.8314227865671033,
2.212072977203784
],
[
2.10395249,
-1.7051042604758678e-16,
3.1062624355924333
],
[
2.1039524900000006,
-3.8314227865671033,
2.212072977203783
],
[
4.20790498,
-1.6268476185649596,
0.9392609105089812
],
[
4... | [
[
4.20790498,
0,
2.5765986824366036e-16
],
[
-3.993282337960146e-16,
6.521524966611475,
3.7652041950000013
],
[
3.993282337960146e-16,
-6.521524966611475,
3.7652041949999986
]
] | [
59,
59,
59,
50,
50,
50,
77,
77,
77
] | [
1,
1,
1
] | mp-1205817 | P-62m | Ir-Pr-Sn | 0 | 0 | null | 0 | 5,258.393563 | 103.347191 |
[
[
3.487465035,
3.8442710911383773,
6.642357528128013
],
[
1.1624883449999996,
7.124086793861623,
2.5620834781280135
],
[
3.4874650350000005,
0.18815179613837718,
5.598464621871987
],
[
1.1624883449999999,
3.4679674988616225,
1.5181905718719872
],
[
... | [
[
4.64995338,
0,
2.8472752615007084e-16
],
[
-4.477454791922628e-16,
7.31223859,
4.477454791922628e-16
],
[
0,
0,
8.1605481
]
] | [
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59,
59,
59,
50,
50,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002243525> | Pnma | Ir-Pr-Sn | 0.009189 | null | null | 0.00014 | 5,258.393563 | 108.059692 |
[
[
-4.246122319211369,
5.121114000251329,
0.5036883325923526
],
[
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-5.121114000251332,
2.685804842966469
],
[
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2.14203846657765,
2.6635372571224756
],
[
-2.562011146927884,
-2.1420384665776524,
0.5259559184363463
],
... | [
[
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],
[
0,
0,
8.88373642
],
[
-4.675062035785129,
7.263152466828983,
-2.076339082421528
]
] | [
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59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003502382> | Immm | Ir-Pr-Sn | 0.040018 | null | null | -0.000009 | 4,678.344165 | 55.458973 |
[
[
-1.1293601205588082e-16,
1.8443850444799477,
-0.692586770861481
],
[
-3.89829590078176e-17,
0.6366400342524727,
1.6953966921420014
],
[
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3.0521300547074226,
2.523684416135036
],
[
1.959047405,
0,
1.1995705669555891e-16
],
[
... | [
[
3.91809481,
0,
2.3991411339111782e-16
],
[
-2.2587202411176164e-16,
3.6887700889598953,
-1.385173541722962
],
[
0,
0,
5.60425465
]
] | [
21,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002238792> | Cmmm | Cu-Sc | 0.097646 | null | null | -0.000009 | 1,871.858215 | 113.524902 |
[
[
-3.2684333123449125,
-2.480156276759012,
-3.7936196027738798
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[
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2.2509303979412634,
-0.17032612621039284
],
[
-4.2339132897206335,
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],
[
-1.251436095671,
2.4801562767590135,
-5.36197132856735
... | [
[
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0,
1.0548970486587719
],
[
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-4.6100898889161845
],
[
1.0759537010614897,
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-5.600398091083815
]
] | [
59,
59,
59,
59,
50,
50,
50,
50,
50,
50,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003628451> | Immm | Ir-Pr-Sn | 0 | null | null | 0.000222 | 4,497.212295 | 80.384216 |
[
[
2.9811254727602443,
3.4589917275,
6.498722712998054
],
[
1.5125668648388737,
1.1529972425,
2.319636169663012
],
[
1.1490899765459843,
3.4589917275,
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],
[
3.3446023610531332,
1.1529972425,
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],
[
3.83398585798088... | [
[
4.493692337599118,
0,
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],
[
-2.824028764906699e-16,
4.61198897,
2.824028764906699e-16
],
[
0,
0,
9.6560719
]
] | [
59,
59,
50,
50,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm002243236> | P2_1/m | Ir-Pr-Sn | 0.039318 | null | null | 0.000058 | 4,497.212295 | 85.175888 |
[
[
4.138367573131836,
3.501682829076649,
7.4354698553850005
],
[
1.2112888877857422,
1.4591934337863512,
2.8873695698536546
],
[
0,
0,
0
],
[
2.4063458343978255,
1.4116123301126413,
5.814205332354241
],
[
2.9433106265197524,
3.549263932750359,
... | [
[
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0,
1.6877234368838558
],
[
1.246141273883857,
4.9608762628630005,
2.8026297983547996
],
[
0,
0,
5.83248619
]
] | [
59,
59,
50,
77,
77
] | [
1,
1,
1
] | alex<agm002383171> | Immm | Ir-Pr-Sn | 0.041484 | null | null | 0 | 5,811.655241 | 103.411087 |
[
[
0.8893508072424626,
3.5203201177835117,
2.02303901449511
],
[
3.7758202913840426,
1.459600063878083,
0.8575114561551354
],
[
1.9971186798319893,
1.459600063878083,
4.967212331155134
],
[
-0.8893508043095907,
3.5203201177835117,
6.1327398894951095
],
... | [
[
5.77293897,
0,
3.5349056156417593e-16
],
[
-2.886469482925549,
4.979920181661595,
-1.229150404349755
],
[
0,
0,
8.21940175
]
] | [
59,
59,
59,
59,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002357765> | C2/c | Ir-Pr-Sn | 0 | null | null | 0.000001 | 5,811.655241 | 102.341263 |
[
[
2.245323755,
2.25194339,
3.880462358232525
],
[
-1.37891763221227e-16,
2.25194339,
10.198118115404343
],
[
0,
0,
1.5482355039128575
],
[
2.245323755,
0,
7.4411354108626595
],
[
-1.37891763221227e-16,
2.25194339,
6.833980391187202
],
[... | [
[
4.49064751,
0,
2.7497285496102656e-16
],
[
-2.75783526442454e-16,
4.50388678,
2.75783526442454e-16
],
[
0,
0,
11.58635075
]
] | [
59,
59,
59,
59,
50,
50,
50,
77
] | [
1,
1,
1
] | alex<agm003553718> | Pmm2 | Ir-Pr-Sn | 0.060333 | null | null | 0 | 3,656.762115 | 68.916161 |
[
[
2.996269172301497,
5.670590754324571,
1.5560920026265572
],
[
-0.35066917035736456,
2.1085790130913513,
6.757038596956086
],
[
3.048732692216816,
2.5315590393728686,
-0.34416114561002076
],
[
2.424052301834785,
0.4675946149337899,
5.152408726603675
],
... | [
[
6.052099482323345,
0,
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],
[
-2.6583235753438124,
7.188562105507198,
-3.515895230626719
],
[
0,
0,
8.43229676
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm003738946> | C2/c | Ir-Pr-Sn | 0.067715 | null | null | -0.000019 | 4,215.120376 | 66.849136 |
[
[
-2.153396053563091,
-2.524200549303014,
1.0618852691608742
],
[
-3.50424472897589,
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],
[
-0.9169542105348556,
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],
[
-0.043059637780953834,
-0.050474301352798845,
-0.119551282... | [
[
0.7037741543156923,
-4.411063629680392,
1.763311930271577
],
[
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0,
1.763311930271577
],
[
0,
0,
-6.48315128
]
] | [
59,
50,
50,
50,
77
] | [
1,
1,
1
] | alex<agm002243635> | I4mm | Ir-Pr-Sn | 0.081766 | null | null | 0.000068 | 3,998.226802 | 63.460857 |
[
[
0,
0,
0
],
[
-1.0296648299562822e-16,
1.6815702791583256,
2.91256516
],
[
1.0296648299562821e-16,
-1.6815702791583254,
2.9125651599999993
],
[
2.08731342,
2.5223554187374884,
1.4562825800000008
],
[
2.08731342,
0,
2.9125651600000007
],
... | [
[
4.17462684,
0,
2.556221698620315e-16
],
[
-3.088994489868847e-16,
5.044710837474977,
2.912565160000001
],
[
3.088994489868847e-16,
-5.044710837474977,
2.9125651599999993
]
] | [
59,
50,
50,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002357440> | P6/mmm | Ir-Pr-Sn | 0.091586 | null | null | 0.000001 | 6,350.099884 | 141.964645 |
[
[
2.3307405117655935,
1.445695803437193,
5.676973017601749
],
[
0,
0,
0
],
[
2.3515397535283665e-8,
4.119161156525371,
1.4670013483822963
],
[
2.330740511807652,
2.2786429254215546,
-0.017379259617579048
],
[
2.3473338872168233e-8,
3.2862140345... | [
[
4.66148107,
0,
2.8543339358307394e-16
],
[
-2.3307405347190087,
5.564856959962564,
-1.757858644015956
],
[
0,
0,
8.90183301
]
] | [
59,
59,
59,
50,
50,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm003338690> | C2/m | Ir-Pr-Sn | 0.054262 | null | null | -0 | 4,343.641024 | 77.062431 |
[
[
-2.33072482937355e-16,
3.806362505493489,
8.505893796256926
],
[
-5.202967915713043e-17,
0.8497091437850575,
5.082444442092447
],
[
2.312058335,
2.328035824639273,
-0.3773895758253135
],
[
2.3120583349999997,
4.249967031356946,
11.159272631084745
],
... | [
[
4.62411667,
0,
2.831454839399709e-16
],
[
-2.8510216209448545e-16,
4.656071649278546,
-0.7547791516506274
],
[
0,
0,
14.34311739
]
] | [
59,
59,
59,
50,
50,
50,
50,
50,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm002320846> | P2/m | Ir-Pr-Sn | 0.028742 | null | null | -0.000001 | 3,747.171454 | 69.404884 |
[
[
1.0838461399999997,
3.2953594607766545,
1.2178236446524087
],
[
3.2515384199999997,
1.757261969223346,
5.311026335347592
],
[
3.2515384199999997,
0.7690487457766542,
2.046601345347592
],
[
1.0838461399999997,
4.283572684223346,
4.482248634652409
],
[... | [
[
4.33538456,
0,
2.654657412238428e-16
],
[
-3.0938383307764114e-16,
5.05262143,
3.0938383307764114e-16
],
[
0,
0,
6.52884998
]
] | [
21,
21,
21,
21,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002313963> | Pnma | Cu-Sc | 0.031916 | null | null | -0.000001 | 2,742.998704 | 87.246185 |
[
[
-0.17652029978137873,
1.4350360866006413,
5.778238903862525
],
[
3.088470388797929,
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3.2644950461374758
],
[
2.7127926540698404,
3.5024838859299714,
5.424761674018643
],
[
0,
0,
0
],
[
4.146375711854007,
3.6904402705387067... | [
[
1.8092607925122548,
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3.6179722759813577
],
[
7.234846100651937,
0,
-3.6179722759813577
],
[
-1.8092607925122548,
7.004967771859943,
5.424761674018643
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003477529> | I4/mcm | Ir-Pr-Sn | 0.00028 | null | null | -0.000045 | 4,862.4992 | 74.589378 |
[
[
-2.678486843939519,
-1.605235802812897,
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],
[
-1.403358867348875,
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],
[
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],
[
-4.253984379083612,
-2.5494424381298164,
-3.039673909002273
... | [
[
-2.2212718222327212,
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],
[
-4.711199400790409,
0,
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],
[
0,
0,
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]
] | [
59,
59,
59,
59,
50,
77,
77
] | [
1,
1,
1
] | alex<agm003458561> | R-3m | Ir-Pr-Sn | 0.072079 | null | null | 0.000046 | 5,095.303413 | 75.341202 |
[
[
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8.42798811850988,
2.5636981630365616
],
[
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5.803428996788862
],
[
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],
[
2.409068018149883,
1.47999704601038,
5.830374483661853
],
[
... | [
[
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0,
0.05281715405156671
],
[
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8.6795099,
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],
[
0,
0,
10.52830136
]
] | [
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59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
50,
50,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm003493675> | P2_1/c | Ir-Pr-Sn | 0.098443 | null | null | 0.00001 | 3,725.192291 | 41.12804 |
[
[
-1.3733654479573584e-16,
2.242875985,
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],
[
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0,
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[
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[
2.242875985,
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[
2.242875985,
0,
9.54436381738673... | [
[
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0,
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[
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4.48575197,
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],
[
0,
0,
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]
] | [
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59,
50,
50,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002188887> | P4/nmm | Ir-Pr-Sn | 0 | null | null | 0.000154 | 5,657.121219 | 120.479408 |
[
[
2.3150562460781035,
4.7966072616318165,
6.05937704885786
],
[
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0.8302068868314799,
13.84366475885786
],
[
2.3150562460781035,
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1.72491066114214
],
[
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0.8302068868314799,
9.509198371142139
... | [
[
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0,
2.835126195792405e-16
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[
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3.725650655416741e-16
],
[
0,
0,
15.56857542
]
] | [
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59,
59,
59,
59,
59,
50,
50,
50,
50,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003330681> | Cmcm | Ir-Pr-Sn | 0.029234 | null | null | 0.000193 | 4,623.621493 | 81.338081 |
[
[
0,
0,
-3.34059009
],
[
0,
0,
0
],
[
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],
[
-1.8567945550000002,
1.072020836159081,
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]
] | [
[
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[
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2.273917508454984e-16
],
[
0,
0,
-6.68118018
]
] | [
3,
72,
34,
34
] | [
1,
1,
1
] | mp-1206373 | P-3m1 | Hf-Li-Se | 0 | 0 | null | null | 2,310.388495 | 50.777737 |
[
[
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-1.5861587796637058,
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[
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[
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],
[
-1.3256783383909831,
-0.8009492493484918,
-2.22775876... | [
[
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[
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0,
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],
[
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0,
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]
] | [
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72,
34,
34
] | [
1,
1,
1
] | alex<agm005111176> | R3m | Hf-Li-Se | 0.052915 | null | null | 0.000209 | 2,310.388495 | 46.128304 |
[
[
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0
],
[
0,
0,
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],
[
0,
0,
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[
0,
0,
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[
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],
[
-1.8342621299999997,
1.0590117345198369,
-11.9284361878675... | [
[
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[
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],
[
0,
0,
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]
] | [
3,
3,
72,
72,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002158981> | P6_3/mmc | Hf-Li-Se | 0.001721 | null | null | 0.008846 | 2,310.388495 | 51.070633 |
[
[
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-1.593931300470786,
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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,
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],
[
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0,
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]
] | [
3,
72,
34,
34
] | [
1,
1,
1
] | alex<agm002219301> | R-3m | Hf-Li-Se | 0.030522 | null | null | -0 | 2,310.388495 | 54.115128 |
[
[
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1.0812328725,
2.892386252067885
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[
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[
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],
[
1.3290254202401277,
3.2436986174999998,
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]
] | [
[
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0,
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[
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],
[
0,
0,
5.28489207
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] | [
21,
21,
29,
29
] | [
1,
1,
1
] | alex<agm003188465> | Cmcm | Cu-Sc | 0.035832 | null | null | -0.000053 | 2,742.998704 | 83.012032 |
[
[
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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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[
-1.8754146650000003,
-1.0827711616799223,
-8.42872112439431... | [
[
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[
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[
0,
0,
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] | [
3,
72,
72,
72,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002159024> | P-3m1 | Hf-Li-Se | 0 | null | null | 0.000009 | 2,284.574348 | 25.804167 |
[
[
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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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0,
... | [
[
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],
[
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0,
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[
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5.5144583804599225,
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] | [
3,
3,
3,
3,
72,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003597298> | I-42m | Hf-Li-Se | 0.062239 | null | null | -0.000014 | 2,261.621087 | 31.800478 |
[
[
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14.202729265349474,
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[
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[
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[
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10.279920797667996,
-1.... | [
[
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[
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[
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0
]
] | [
3,
72,
72,
72,
72,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003671350> | F-43m | Hf-Li-Se | 0.006891 | null | null | 0.000002 | 2,281.297904 | 21.302069 |
[
[
1.8941954313936726,
1.241618642792213,
10.0611213975
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[
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3.3537071325000003
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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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],
[
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0,
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] | [
3,
3,
72,
72,
72,
72,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003453210> | Cmcm | Hf-Li-Se | 0.097191 | null | null | 0.000312 | 2,291.093781 | 38.398857 |
[
[
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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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[
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] | [
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39,
39,
39,
39,
78,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | mp-1189258 | P-1 | I-Pt-Y | 0 | 0.6706 | null | -0.000042 | 4,632.447895 | 5.85991 |
[
[
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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,
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],
[
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0,
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]
] | [
39,
39,
78,
53
] | [
1,
1,
1
] | alex<agm001930571> | R-3m | I-Pt-Y | 0.050052 | null | null | 0.000166 | 5,695.708899 | 66.366898 |
[
[
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[
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[
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],
[
0.3253636707833362,
-6.951272049357894,
-8.4635248899750... | [
[
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0,
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[
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],
[
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0,
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]
] | [
39,
39,
39,
39,
78,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm003655819> | C2/m | I-Pt-Y | 0.015764 | null | null | 0.000859 | 4,847.661409 | 12.286865 |
[
[
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0,
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[
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[
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[
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],
[
-2.1450005250000004,
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-... | [
[
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],
[
-2.1450005249999995,
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],
[
0,
0,
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]
] | [
39,
39,
78,
78,
53,
53
] | [
1,
1,
1
] | alex<agm002323553> | P-3m1 | I-Pt-Y | 0.076626 | null | null | 0 | 6,365.5323 | 38.564388 |
[
[
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[
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[
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],
[
3.112552470813706,
2.1731765799732194,
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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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81,
81,
81,
81,
81,
81,
81,
82,
82,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-1189804 | I4/mcm | Pb-Se-Tl | 0.029763 | 0.1762 | null | null | 4,864.405192 | 31.275024 |
[
[
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[
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[
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],
[
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0,
0
]
] | [
[
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0,
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[
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],
[
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]
] | [
21,
21,
21,
29
] | [
1,
1,
1
] | alex<agm003164103> | Immm | Cu-Sc | 0.052099 | null | null | -0.000001 | 3,539.189505 | 67.466469 |
[
[
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[
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[
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],
[
-1.5339387984692707,
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-2.4361104099227... | [
[
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],
[
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0,
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],
[
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0,
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]
] | [
81,
82,
34,
34
] | [
1,
1,
1
] | alex<agm005111354> | R3m | Pb-Se-Tl | 0.065778 | null | null | -0.000001 | 3,514.465061 | 28.363371 |
[
[
0,
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0
],
[
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[
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],
[
2.174722025,
2.174722025,
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]
] | [
[
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0,
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],
[
-2.6632663669515e-16,
4.34944405,
2.6632663669515e-16
],
[
0,
0,
6.19447247
]
] | [
81,
82,
34,
34
] | [
1,
1,
1
] | alex<agm003184034> | P4/mmm | Pb-Se-Tl | 0.020363 | null | null | -0.000051 | 3,514.465061 | 38.233521 |
[
[
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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,
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],
[
0,
0,
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]
] | [
81,
82,
34,
34
] | [
1,
1,
1
] | alex<agm002355041> | R-3m | Pb-Se-Tl | 0.031566 | null | null | -0.000108 | 3,514.465061 | 35.133739 |
[
[
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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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6.99607647147336,
6.... | [
[
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[
-5.771782695815858e-16,
9.42603647,
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[
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0,
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81,
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82,
82,
82,
82,
82,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003556775> | Pmmn | Pb-Se-Tl | 0.08554 | null | null | -0.000002 | 2,668.948383 | 21.415493 |
[
[
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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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[
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0,
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] | [
81,
81,
82,
82,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003305076> | C2/m | Pb-Se-Tl | 0.02721 | null | null | -0.000255 | 3,634.722191 | 27.941378 |
[
[
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[
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[
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[
-2.0472471305442803,
-1.1897933910395404,
-1.69667115146336... | [
[
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[
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81,
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81,
82,
82,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003361527> | R-3m | Pb-Se-Tl | 0.06862 | null | null | 0 | 4,186.307749 | 31.619026 |
[
[
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[
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[
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[
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[
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81,
81,
81,
81,
82,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003654045> | C2/m | Pb-Se-Tl | 0.039023 | null | null | -0 | 4,929.273575 | 28.095755 |
[
[
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[
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[
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[
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4.4175... | [
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[
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[
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] | [
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81,
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81,
81,
82,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003673264> | C2/m | Pb-Se-Tl | 0.061921 | null | null | -0.000028 | 4,781.980631 | 31.398998 |
[
[
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[
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[
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[
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[
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[
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81,
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34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003397646> | P2_1/c | Pb-Se-Tl | 0.075609 | null | null | 0 | 4,302.944256 | 26.026485 |
[
[
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[
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[
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[
1.77... | [
[
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[
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[
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] | [
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21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003220642> | Pnma | Cu-Sc | 0.015923 | null | null | 0 | 3,539.189505 | 66.843925 |
[
[
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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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[
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0,
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[
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] | [
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82,
82,
82,
82,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003652560> | I4/mmm | Pb-Se-Tl | 0.025542 | null | null | 0.000133 | 2,500.345382 | 38.234917 |
[
[
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[
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[
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[
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[
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2.43795259... | [
[
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0,
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[
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[
0,
0,
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] | [
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19,
58,
29,
29,
16,
16,
16,
16
] | [
1,
1,
1
] | mp-1206020 | C2/m | Ce-Cu-K-S | 0.002532 | 0.5589 | null | 0.000003 | 2,778.913856 | 30.509541 |
[
[
4.6704703451536185,
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[
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[
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[
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[
4.74... | [
[
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0,
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[
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6.622672,
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[
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] | [
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30,
14,
14,
47,
47,
47,
47,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | mp-1189914 | Pc | Ag-S-Si-Zn | 0 | 1.6859 | null | 0.000002 | 1,331.807267 | 55.067062 |
[
[
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[
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[
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[
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1.1600125845488076,
4.680958539445839e-16
... | [
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0,
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[
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[
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] | [
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30,
14,
14,
47,
47,
47,
47,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm004786054> | Pmn2_1 | Ag-S-Si-Zn | 0.01371 | null | null | -0 | 1,331.807267 | 53.254204 |
[
[
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0
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[
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[
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0,
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[
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2.6967322166545467,
-3.22... | [
[
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[
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0,
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[
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23,
23,
23,
8,
8,
8,
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8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1205445 | C2/m | La-Mn-O-V | 0.059604 | 0 | null | 0.090713 | 2,167.43389 | 161.515076 |
[
[
2.760926099035187,
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[
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[
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[
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[
-1... | [
[
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[
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[
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] | [
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23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-560369 | P2_1/c | La-Mn-O-V | 0 | 0 | null | 0.046609 | 2,462.651642 | 135.95993 |
[
[
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[
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[
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[
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],
[
-0.9438448591367549,
8.77733702062626... | [
[
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[
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[
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0
]
] | [
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56,
63,
44,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1205665 | Fm-3m | Ba-Eu-O-Ru | 0 | 0 | null | null | 3,141.574168 | 103.868378 |
[
[
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[
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[
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],
[
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6.409482653188
... | [
[
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[
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[
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] | [
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77,
77,
77,
77,
77,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | mp-1189749 | P4/mbm | B-Ga-Ir-Mg | 0 | 0 | null | -0.0002 | 8,124.951137 | 192.984421 |
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