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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] | mp-865492 | Cmc2_1 | Cu-Lu-Pb-Se | 0.002549 | 1.1055 | null | -0 | 2,139.999531 | 35.303089 |
[
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[
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17,
17
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1,
1,
1
] | mp-1205883 | Fm-3m | Cl-Ho-Li-Rb | 0.003552 | 5.1901 | null | null | 3,393.415352 | 19.580847 |
[
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17
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1,
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] | alex<agm004931855> | P2_1/c | Cl-Ho-Li-Rb | 0.002199 | null | null | -0 | 3,393.415352 | 19.229309 |
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[
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1,
1,
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] | alex<agm004961778> | R-3 | Cl-Ho-Li-Rb | 0.006996 | null | null | -0 | 2,938.108419 | 14.620779 |
[
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17
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1,
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] | alex<agm005067979> | C2/c | Cl-Ho-Li-Rb | 0.00698 | null | null | 0 | 3,035.269182 | 16.252111 |
[
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[
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2.0977751369... | [
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67,
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17,
17,
17,
17,
17
] | [
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1,
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] | alex<agm004679127> | P-3m1 | Cl-Ho-Li-Rb | 0.071713 | null | null | 0.00236 | 3,429.204901 | 19.796925 |
[
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[
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17,
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17,
17
] | [
1,
1,
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] | alex<agm004670001> | P-3m1 | Cl-Ho-Li-Rb | 0.063331 | null | null | -0 | 3,524.352817 | 13.814505 |
[
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[
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[
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17,
17,
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17,
17,
17
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1,
1,
1
] | alex<agm004913925> | P2/m | Cl-Ho-Li-Rb | 0.071409 | null | null | 0.00004 | 2,819.069949 | 14.697485 |
[
[
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[
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12.0928... | [
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9
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1,
1,
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] | mp-1189460 | Fm-3m | Al-F-H-N-Na | 0.013402 | 6.4966 | null | null | 1,164.050549 | 27.446308 |
[
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27,
27
] | [
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1,
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] | alex<agm003679827> | Imm2 | Co-Ga-Tb | 0.035823 | null | null | 0.002922 | 2,352.866933 | 123.135239 |
[
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[
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1,
1
] | mp-1189134 | P4/nmm | F-K-Na-O-W | 0.079219 | 3.1664 | null | null | 3,428.748901 | 29.303848 |
[
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[
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] | [
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49
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1,
1,
1
] | mp-1206268 | Cmmm | In-Sc | 0 | 0 | null | null | 2,409.297489 | 58.268429 |
[
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[
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[
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[
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] | [
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49,
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1,
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] | alex<agm003160218> | P-3m1 | In-Sc | 0.095915 | null | null | 0.000001 | 2,409.297489 | 52.97044 |
[
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[
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1,
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] | alex<agm002184530> | I4_1/amd | In-Sc | 0.083809 | null | null | 0.000039 | 2,409.297489 | 52.093941 |
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[
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] | [
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] | [
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] | alex<agm003199145> | Cmcm | In-Sc | 0.073778 | null | null | -0.000001 | 2,409.297489 | 53.676994 |
[
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[
1.112101909... | [
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] | [
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21,
21,
49,
49,
49,
49,
49,
49,
49,
49
] | [
1,
1,
1
] | alex<agm003209940> | Pnma | In-Sc | 0.054326 | null | null | 0.000206 | 2,409.297489 | 53.604996 |
[
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... | [
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[
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49,
49
] | [
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1,
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] | alex<agm002314101> | I4_1/amd | In-Sc | 0.006051 | null | null | 0.000092 | 2,409.297489 | 57.165386 |
[
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[
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[
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[
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] | [
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49
] | [
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1,
1
] | mp-1207100 | P4/mmm | In-Sc | 0 | 0 | null | 0.007611 | 2,703.430107 | 61.508503 |
[
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] | [
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[
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] | [
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49
] | [
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] | alex<agm003273179> | Pm-3m | In-Sc | 0.02808 | null | null | -0.000001 | 2,703.430107 | 69.663925 |
[
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[
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[
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] | [
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] | [
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31,
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27
] | [
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1,
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] | alex<agm001953159> | R-3m | Co-Ga-Tb | 0.063037 | null | null | 0.004491 | 2,565.698154 | 101.622734 |
[
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[
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[
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] | [
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49
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1,
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] | alex<agm003189884> | Imma | In-Sc | 0.074447 | null | null | -0.000026 | 2,703.430107 | 62.631111 |
[
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[
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] | [
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49
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] | alex<agm002184529> | Cmcm | In-Sc | 0.078325 | null | null | 0.006426 | 2,703.430107 | 60.429291 |
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[
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[
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] | [
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1,
1
] | mp-19713 | P6_3/mmc | In-Sc | 0 | 0 | 63.461128 | 0.016685 | 3,350.374857 | 60.634808 |
[
[
0,
0,
2.270052155
],
[
-1.3900060527591508e-16,
2.270052155,
1.3900060527591508e-16
],
[
2.270052155,
0,
1.3900060527591508e-16
],
[
2.270052155,
2.270052155,
2.2700521550000006
]
] | [
[
4.54010431,
0,
2.7800121055183015e-16
],
[
-2.7800121055183015e-16,
4.54010431,
2.7800121055183015e-16
],
[
0,
0,
4.54010431
]
] | [
21,
21,
21,
49
] | [
1,
1,
1
] | mp-570428 | Pm-3m | In-Sc | 0.008856 | 0 | 61.848793 | null | 3,350.374857 | 61.073849 |
[
[
1.2275311055886622,
-1.0120309162528849,
2.81110175
],
[
2.455062211177325,
-2.0240618325057693,
5.474856876443827e-17
],
[
2.8962571701074027,
1.0120309162528844,
1.0103564092183852
],
[
0,
0,
0
]
] | [
[
0.7863361466585851,
-4.048123665011539,
1.800745340781615
],
[
4.123788275696064,
0,
-1.800745340781615
],
[
-0.7863361466585851,
4.048123665011539,
3.8214581592183854
]
] | [
21,
21,
21,
49
] | [
1,
1,
1
] | alex<agm003186787> | I4/mmm | In-Sc | 0.059033 | null | null | 0.002232 | 3,350.374857 | 60.282574 |
[
[
1.67267642,
1.67267642,
6.4860735614804845
],
[
0,
0,
4.26431985
],
[
1.67267642,
1.67267642,
2.0425661385195153
],
[
0,
0,
0
]
] | [
[
3.34535284,
0,
2.0484378237622538e-16
],
[
-2.0484378237622538e-16,
3.34535284,
2.0484378237622538e-16
],
[
0,
0,
8.5286397
]
] | [
21,
21,
21,
49
] | [
1,
1,
1
] | alex<agm003186783> | P4/mmm | In-Sc | 0.074357 | null | null | 0.000123 | 3,350.374857 | 57.784611 |
[
[
-0.7762585801154273,
-1.184827692142842,
-2.3980780231682868
],
[
-2.761579858025191,
1.1848276921428422,
-2.494004157350852
],
[
-1.768919219070309,
0,
-5.46468188025957
],
[
-0.3201215965401959,
2.21134501757023,
-0.988944361682557
]
] | [
[
-3.537838438140618,
0,
1.145199399480861
],
[
-0.6402431930803917,
4.42269003514046,
-1.977888723365114
],
[
0.6402431930803917,
-4.42269003514046,
-4.0593928566348865
]
] | [
21,
21,
21,
49
] | [
1,
1,
1
] | alex<agm003186786> | Immm | In-Sc | 0.057393 | null | null | 0.000033 | 3,350.374857 | 62.750881 |
[
[
2.559904505,
2.10925511574417,
2.8590356921262084e-16
],
[
-2.2728845337323153e-16,
3.71190213425583,
3.1345304550000006
],
[
-5.37659169116928e-17,
0.8780640581288699,
1.5922133315349998
],
[
-5.37659169116928e-17,
0.8780640581288699,
4.676847578465001
... | [
[
5.11980901,
0,
3.1349788581711396e-16
],
[
-3.564430796772954e-16,
5.82115725,
3.564430796772954e-16
],
[
0,
0,
6.26906091
]
] | [
21,
21,
21,
21,
21,
21,
49,
49
] | [
1,
1,
1
] | alex<agm003263058> | Pmmn | In-Sc | 0.029972 | null | null | 0.007945 | 3,350.374857 | 59.963417 |
[
[
0.6845507567194603,
-4.786410088024674,
-3.6738333981857414
],
[
-1.0492987394526267,
2.0631518680179197,
-3.7410215243961327
],
[
-2.354608537300493,
-0.49649879181404905,
-2.280354739831133
],
[
-1.2377404059528145,
-2.462473538601702,
-4.4128648288727... | [
[
-3.179845082100086,
0,
0.891897417964285
],
[
-0.6964734488900363,
4.869774095034375,
-2.4831080645139307
],
[
0.6964734488900363,
-4.869774095034375,
-3.6313259154860695
]
] | [
21,
21,
21,
49
] | [
1,
1,
1
] | alex<agm003186784> | Imm2 | In-Sc | 0.075662 | null | null | 0.003266 | 3,350.374857 | 54.763512 |
[
[
0.006962679833816844,
0.6670769450315992,
1.7103983975
],
[
2.042062494011259,
4.382949226012356,
5.1311951925
],
[
0.011878965412182542,
3.5042458842569886,
0.3785567987959956
],
[
0.011878965412182542,
3.5042458842569886,
3.042239996204005
],
[
... | [
[
4.06283087,
0,
2.487766410211278e-16
],
[
-2.013805696154924,
5.050026171043955,
3.329045140065409e-16
],
[
0,
0,
6.84159359
]
] | [
65,
65,
31,
31,
31,
31,
27,
27
] | [
1,
1,
1
] | alex<agm002206086> | Cmcm | Co-Ga-Tb | 0 | null | null | 0.000008 | 2,565.698154 | 96.259026 |
[
[
2.270566085,
2.270566085,
2.2705660850000005
],
[
-1.3903207441238935e-16,
2.270566085,
1.3903207441238935e-16
],
[
0,
0,
2.270566085
],
[
2.270566085,
0,
1.3903207441238935e-16
]
] | [
[
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0,
2.780641488247787e-16
],
[
-2.780641488247787e-16,
4.54113217,
2.780641488247787e-16
],
[
0,
0,
4.54113217
]
] | [
21,
49,
49,
49
] | [
1,
1,
1
] | mp-20539 | Pm-3m | In-Sc | 0 | 0 | 56.349012 | null | 2,288.615612 | 51.100613 |
[
[
0,
0,
0
],
[
1.1867809536700031,
-1.0004940753661296,
2.88592848
],
[
2.8736775823145204,
1.0004940753661293,
1.2161452928037426
],
[
2.3735619073400063,
-2.000988150732259,
1.0375155823933293e-16
]
] | [
[
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-4.001976301464518,
1.6697831871962574
],
[
4.060458535984523,
0,
-1.6697831871962574
],
[
-0.6866652786954893,
4.001976301464518,
4.102073772803743
]
] | [
21,
49,
49,
49
] | [
1,
1,
1
] | alex<agm002184534> | I4/mmm | In-Sc | 0.042206 | null | null | 0.000002 | 2,288.615612 | 54.823612 |
[
[
0,
0,
0
],
[
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],
[
1.728444885,
0,
2.72734919
],
[
-1.5764621322730707e-16,
2.5745580413400257,
1.827302249021327
]
] | [
[
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0,
2.116734495917865e-16
],
[
-3.1529242645461415e-16,
5.1491160826800515,
-1.8000938819573458
],
[
0,
0,
5.45469838
]
] | [
21,
49,
49,
49
] | [
1,
1,
1
] | alex<agm003163189> | Cmmm | In-Sc | 0.081405 | null | null | 0.000104 | 2,288.615612 | 49.015583 |
[
[
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-1.6046689676920267,
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],
[
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1.2823674819552267,
-2.8944534223598093
],
[
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-1.1541290592126952,
-2.3750742851002586
],
[
-1.7691750683625338,
0.6857881467883619,
0.16293576898064... | [
[
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0,
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],
[
-0.6661649481055874,
4.743759229156667,
-2.269520280178288
],
[
0.6661649481055874,
-4.743759229156667,
-3.9207195498217122
]
] | [
21,
49,
49,
49
] | [
1,
1,
1
] | alex<agm003163237> | Imm2 | In-Sc | 0.090508 | null | null | 0.000002 | 2,288.615612 | 45.159393 |
[
[
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1.814025758522707,
3.14198478
],
[
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[
4.1420755725,
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1.5698454398759094
],
[
4.1420755725,
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4.714124182963787
],
[
4.1420755725,
3.629... | [
[
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0,
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],
[
-3.3323112581185244e-16,
5.4420772755681215,
3.141984780000001
],
[
3.3323112581185244e-16,
-5.4420772755681215,
3.141984779999999
]
] | [
21,
21,
49,
49,
49,
49,
49,
49
] | [
1,
1,
1
] | alex<agm002184535> | P6_3/mmc | In-Sc | 0.06285 | null | null | -0.000018 | 2,288.615612 | 49.66914 |
[
[
0,
0,
0
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[
0,
0,
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[
-2.52923087,
1.4602521236372121,
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],
[
-2.5292308700000006,
-1.460252123637212,
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],
[
-2.52923087,
1.4602521236372121,
-1.57495075
],
[
-2.5292308700000006,
-1.4... | [
[
-2.5292308700000006,
-4.380756370911635,
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],
[
-2.5292308699999997,
4.380756370911635,
3.0974144892501753e-16
],
[
0,
0,
-6.299803
]
] | [
21,
21,
21,
21,
49,
49
] | [
1,
1,
1
] | mp-31348 | P6_3/mmc | In-Sc | 0 | 0 | 65.014259 | 0.009817 | 3,097.932659 | 60.459122 |
[
[
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1.6668993265390504,
3.4845585816071454
],
[
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5.386431786630714
],
[
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2.0522474987165884,
0.28793138498374155
],
[
1.563026289694463e-8,
4.0624250839263265,
2.189804590007310... | [
[
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0,
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],
[
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5.729324410465377,
-1.6073832483855448
],
[
0,
0,
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]
] | [
21,
21,
21,
21,
49,
49
] | [
1,
1,
1
] | alex<agm003273138> | C2/m | In-Sc | 0.086381 | null | null | 0.013103 | 3,097.932659 | 58.798595 |
[
[
-6.746215868293524e-33,
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],
[
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],
[
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],
[
1.751581755,
1.7578821713011354e-16,
3.184812141... | [
[
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0,
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],
[
-4.470575552721213e-16,
7.301003939803381,
4.215236590000002
],
[
4.470575552721213e-16,
-7.301003939803381,
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]
] | [
21,
21,
21,
21,
21,
21,
49,
49,
49
] | [
1,
1,
1
] | alex<agm003267330> | P-62m | In-Sc | 0.056828 | null | null | 0.012917 | 3,097.932659 | 60.381523 |
[
[
2.1921213587781607,
4.792414349083198,
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],
[
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[
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],
[
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],
[
2.015692368035884,
6.837106558335345,
... | [
[
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0,
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],
[
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3.095323987391171
],
[
0,
0,
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]
] | [
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
49,
49
] | [
1,
1,
1
] | alex<agm003285971> | P-1 | In-Sc | 0.064309 | null | null | 0.008499 | 3,794.784186 | 55.891918 |
[
[
0,
0,
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],
[
0,
0,
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],
[
1.70045356,
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3.53843147
],
[
1.70045356,
1.70045356,
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]
] | [
[
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0,
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],
[
-2.0824550093527216e-16,
3.40090712,
2.0824550093527216e-16
],
[
0,
0,
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]
] | [
65,
65,
31,
27
] | [
1,
1,
1
] | alex<agm001137240> | P4/mmm | Co-Ga-Tb | 0.083426 | null | null | -0.000298 | 2,859.822571 | 73.77417 |
[
[
-5.365076127271088,
-1.00716211446615,
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],
[
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],
[
-4.999332720979943,
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0.09098418911834225
],
[
-2.4807487439481517,
-2.10775227210993,
0.002779993255576546
... | [
[
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0,
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],
[
-2.072881768290794,
-5.118649256299935,
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],
[
-4.145763539980119,
0,
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]
] | [
21,
21,
21,
21,
49
] | [
1,
1,
1
] | alex<agm003193607> | I4/m | In-Sc | 0.068847 | null | null | 0.008647 | 3,525.782669 | 61.123726 |
[
[
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],
[
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],
[
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-0.6492175191641182,
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],
[
1.2985632105443794,
1.3282958231226132,
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],
... | [
[
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],
[
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0,
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],
[
-0.07425702637310773,
3.279862305901847,
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]
] | [
21,
21,
21,
21,
49
] | [
1,
1,
1
] | alex<agm003298517> | I4/mmm | In-Sc | 0.07378 | null | null | 0.003377 | 3,525.782669 | 57.503033 |
[
[
-3.5146159776765438,
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[
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],
[
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],
[
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-2.2315585561738254,
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],... | [
[
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0,
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],
[
-2.095205597513479,
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],
[
-4.190411197488965,
0,
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]
] | [
21,
21,
21,
21,
49,
49,
49,
49,
49
] | [
1,
1,
1
] | alex<agm005500950> | I4/mmm | In-Sc | 0.093278 | null | null | -0.000003 | 2,596.300546 | 57.262012 |
[
[
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[
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],
[
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],
[
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],
[
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3.1868685119619724,
... | [
[
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0,
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],
[
-3.902788322477718e-16,
6.373737023923945,
-0.09757148053221591
],
[
0,
0,
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]
] | [
21,
21,
21,
49,
49,
49,
49,
49
] | [
1,
1,
1
] | alex<agm003264678> | Cmmm | In-Sc | 0.015963 | null | null | -0.000035 | 2,475.584542 | 61.203442 |
[
[
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],
[
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],
[
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],
[
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2.469844886365948,
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],
[
... | [
[
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0,
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],
[
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7.409534659097841,
4.277896830000002
],
[
4.537031451717773e-16,
-7.409534659097841,
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]
] | [
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
49,
49,
49,
49,
49,
49
] | [
1,
1,
1
] | alex<agm003218338> | P6_3/mcm | In-Sc | 0.041511 | null | null | 0.000589 | 2,987.202687 | 65.363716 |
[
[
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],
[
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],
[
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],
[
4.6969565625,
5.372026083148216,
5.687977704800687
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[
4.6... | [
[
6.26260875,
0,
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[
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[
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21,
21,
21,
49,
49,
49,
49,
49,
49,
49,
49
] | [
1,
1,
1
] | alex<agm003223413> | P6_3/mcm | In-Sc | 0.018519 | null | null | 0.000922 | 2,821.500794 | 65.370819 |
[
[
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[
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[
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3.3622467597306938
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[
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] | [
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21,
21,
21,
21,
21,
49,
49,
49,
49
] | [
1,
1,
1
] | alex<agm005505988> | Fdd2 | In-Sc | 0.095676 | null | null | 0.00182 | 2,925.009284 | 60.324467 |
[
[
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[
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[
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[
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10.600328903805654,
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[
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[
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] | [
21,
21,
21,
21,
21,
21,
21,
49
] | [
1,
1,
1
] | alex<agm003261630> | Fm-3m | In-Sc | 0.057079 | null | null | 0.000003 | 3,831.69097 | 56.0103 |
[
[
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0,
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[
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[
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[
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[
3.6661973186088535,
0,
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[
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[
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[
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0,
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] | [
21,
49,
49,
49,
49,
49
] | [
1,
1,
1
] | alex<agm003197560> | Cmmm | In-Sc | 0.086769 | null | null | -0.000001 | 2,181.553222 | 43.051308 |
[
[
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[
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[
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[
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1.3637674400858149... | [
[
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[
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[
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0,
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] | [
21,
21,
21,
21,
49,
49,
49,
49,
49,
49
] | [
1,
1,
1
] | alex<agm002238474> | Fdd2 | In-Sc | 0.047147 | null | null | 0.000784 | 2,517.489055 | 57.598682 |
[
[
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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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0,
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] | [
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65,
65,
65,
31,
31,
27,
27
] | [
1,
1,
1
] | alex<agm003619243> | P2_1/m | Co-Ga-Tb | 0.047624 | null | null | 0.000002 | 2,859.822571 | 80.193947 |
[
[
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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,
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[
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[
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0,
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] | [
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21,
21,
21,
21,
21,
21,
21,
49
] | [
1,
1,
1
] | alex<agm003267068> | I4/mmm | In-Sc | 0.048831 | null | null | 0.010785 | 3,895.013708 | 54.655945 |
[
[
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[
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[
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[
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0.7017251837494572,
4.468075036412... | [
[
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[
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[
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0,
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] | [
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21,
21,
21,
21,
49
] | [
1,
1,
1
] | alex<agm003197561> | Cm | In-Sc | 0.043244 | null | null | 0.005408 | 3,654.749522 | 55.594135 |
[
[
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[
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[
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[
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[
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2.5421161,
1.8674... | [
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[
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[
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] | [
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21,
21,
21,
21,
49
] | [
1,
1,
1
] | alex<agm003197562> | Amm2 | In-Sc | 0.055451 | null | null | 0.004066 | 3,654.749522 | 59.98291 |
[
[
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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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21,
21,
21,
21,
49
] | [
1,
1,
1
] | alex<agm001193663> | Cmmm | In-Sc | 0.021814 | null | null | 0.002882 | 3,654.749522 | 59.806961 |
[
[
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[
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[
1.6... | [
[
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[
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[
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69,
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69,
69,
69,
69,
69,
69,
82,
82,
82,
82,
82,
82
] | [
1,
1,
1
] | mp-1189518 | P6_3/mcm | Pb-Tm | 0 | 0 | null | 0.000011 | 2,548.887707 | 29.773817 |
[
[
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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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69,
69,
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69,
69,
69,
69,
69,
69,
82,
82,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm003290979> | I4/mcm | Pb-Tm | 0.068901 | null | null | 0.003864 | 2,548.887707 | 34.667431 |
[
[
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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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4.245272624362666,
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] | [
69,
69,
69,
82
] | [
1,
1,
1
] | alex<agm001281110> | I4/mmm | Pb-Tm | 0.088917 | null | null | -0.000017 | 2,722.746488 | 46.102612 |
[
[
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[
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[
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[
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1.3416352681988233
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[
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0,
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[
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],
[
0,
0,
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]
] | [
69,
69,
69,
69,
69,
69,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm002322710> | P4/mbm | Pb-Tm | 0.092885 | null | null | 0.000638 | 2,515.199238 | 36.411762 |
[
[
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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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4.984215970000002
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[
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] | [
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69,
69,
69,
69,
69,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm003291480> | P6_3mc | Pb-Tm | 0.093388 | null | null | 0.000056 | 2,136.625043 | 31.634577 |
[
[
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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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[
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2.426112155,
2... | [
[
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0,
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[
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4.85222431,
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],
[
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0,
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]
] | [
69,
69,
69,
69,
69,
82
] | [
1,
1,
1
] | alex<agm001194194> | Cmmm | Pb-Tm | 0.047505 | null | null | -0 | 2,843.922984 | 52.295574 |
[
[
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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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]
] | [
69,
69,
82,
82
] | [
1,
1,
1
] | alex<agm002245202> | Cmcm | Pb-Tm | 0.033891 | null | null | 0.000001 | 2,383.872637 | 47.644653 |
[
[
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[
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[
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],
[
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1.3048943275,
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]
] | [
[
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0,
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[
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5.21957731,
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],
[
0,
0,
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]
] | [
69,
69,
82,
82
] | [
1,
1,
1
] | alex<agm001417411> | P2_1/m | Pb-Tm | 0.057762 | null | null | -0.000001 | 2,383.872637 | 20.460272 |
[
[
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[
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[
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],
[
1.8265106634706991,
-3.4494406292641075,
-1.402531919226252... | [
[
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0,
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[
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],
[
-4.124227232071039,
0,
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]
] | [
69,
69,
82,
82
] | [
1,
1,
1
] | alex<agm003293726> | C2/m | Pb-Tm | 0.030707 | null | null | 0.000032 | 2,383.872637 | 45.138065 |
[
[
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[
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0,
0
]
] | [
[
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[
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],
[
0,
0,
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]
] | [
69,
82
] | [
1,
1,
1
] | alex<agm002383952> | P4/mmm | Pb-Tm | 0.093059 | null | null | 0.001915 | 2,383.872637 | 44.487259 |
[
[
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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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4.392651793709113,
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[
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0,
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]
] | [
69,
69,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm002191643> | Cmcm | Pb-Tm | 0 | null | null | -0.000001 | 2,176.481388 | 43.5145 |
[
[
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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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4.242526996627819,
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]
] | [
69,
82,
82,
82
] | [
1,
1,
1
] | alex<agm001281111> | I4/mmm | Pb-Tm | 0.039716 | null | null | -0.00007 | 2,077.805148 | 33.940742 |
[
[
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[
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[
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3.213210180701107,
9.981364742094154
],
[
3.5618488702510818,
6.624281413652068,
6.567072869527906
],
[
... | [
[
5.223726826824506,
0,
1.8342555611355595
],
[
1.963005611048354,
7.636350636147694,
2.7649923765502034
],
[
0,
0,
8.35538299
]
] | [
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65,
65,
65,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
27,
27,
27,
27,
27,
27
] | [
1,
1,
1
] | alex<agm003346501> | Ibam | Co-Ga-Tb | 0 | null | null | 0.000011 | 2,520.042728 | 91.511459 |
[
[
4.5566037375,
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3.3337423349999997
],
[
1.5188679125,
1.9247370345211023,
3.333742335
],
[
1.5188679125000002,
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1.690361182716337
],
[
1.5188679125,
-0.9759304838689713,
4.977123487283663
],
[
1.518867912500... | [
[
6.07547165,
0,
3.720153454741494e-16
],
[
-3.535684572789954e-16,
5.774211103563306,
3.3337423350000015
],
[
3.535684572789954e-16,
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3.333742334999999
]
] | [
69,
69,
82,
82,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm002322733> | P6_3/mmc | Pb-Tm | 0.035037 | null | null | 0 | 2,077.805148 | 28.19759 |
[
[
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5.1201595606186165,
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[
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[
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2.480029373805327,
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],
[
-0.9450272278057641,
0.46941908984827885,
-3.343025121204... | [
[
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0,
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[
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5.146959676716084,
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],
[
0.7111012354725804,
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]
] | [
69,
82,
82,
82
] | [
1,
1,
1
] | alex<agm001283480> | Imm2 | Pb-Tm | 0.051319 | null | null | 0.000051 | 2,077.805148 | 38.82196 |
[
[
0,
0,
0
],
[
-1.8266119388465156e-16,
2.983083677870671,
1.7953835083746166
],
[
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5.347427375394055
],
[
2.359781125,
2.2690783693272527,
-0.659865463115664
],
[
2.359781125,
0.7574163175109045,
... | [
[
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0,
2.8898984014195904e-16
],
[
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4.538156738654505,
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[
0,
0,
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]
] | [
69,
82,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm001194193> | Cmmm | Pb-Tm | 0.038443 | null | null | 0 | 1,982.262626 | 36.793552 |
[
[
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2.6675796811039705,
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[
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[
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6.193061111970949
],
[
3.2927462624999992,
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0.11740870197094931
],
... | [
[
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0,
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],
[
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11.03847619,
6.759117266773886e-16
],
[
0,
0,
12.15130482
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] | [
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69,
69,
69,
69,
69,
69,
69,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm003287387> | Pnma | Pb-Tm | 0.093243 | null | null | 0.000114 | 2,257.78364 | 39.574371 |
[
[
0,
0,
0
],
[
-2.0215605828068406,
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[
3.0323408742102624,
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1.75072282
],
[
1.0107802914034214,
11.435673573457173,
1.75072282
],
[
1.010780291403421,
2.858918393364294,
1.750722... | [
[
2.0215605828068415,
5.717836786728586,
3.501445640000001
],
[
2.0215605828068415,
5.717836786728586,
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[
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0
]
] | [
69,
82,
82,
82,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm003299877> | Fm-3m | Pb-Tm | 0.007624 | null | null | 0.000001 | 1,935.620227 | 40.351185 |
[
[
2.26062331699223,
5.035533018098913,
11.149857130414821
],
[
4.6081428439664975,
2.6115895529364566,
2.357049117475915
],
[
0,
0,
0
],
[
4.883032099781206,
0.4655097158495957,
4.913639892626518
],
[
1.9857340611775236,
7.181612855185774,
... | [
[
6.608445273778887,
0,
1.4221770073738358
],
[
0.2603208871798408,
7.64712257103537,
3.2947511905169
],
[
0,
0,
8.78997805
]
] | [
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
82,
82
] | [
1,
1,
1
] | alex<agm003286152> | P-1 | Pb-Tm | 0.080098 | null | null | 0.004168 | 2,893.63694 | 33.247887 |
[
[
2.1017023199999993,
-1.389469289599344,
6.0919292016191005
],
[
2.10170232,
1.389469289599344,
6.091929201619101
],
[
2.10170232,
-7.724973496022452e-17,
1.6044209367617983
],
[
1.1142180508012349e-32,
2.1895659646296004e-16,
3.940217504214828
],
[
... | [
[
4.20340464,
0,
2.573843018948566e-16
],
[
-3.655876913156551e-16,
5.970500091458067,
3.4470698350000015
],
[
3.655876913156551e-16,
-5.970500091458067,
3.447069834999999
]
] | [
3,
3,
3,
71,
71,
71,
32,
32,
32
] | [
1,
1,
1
] | mp-1205878 | P-62m | Ge-Li-Lu | 0 | 0 | null | null | 2,787.552446 | 61.548672 |
[
[
5.291126229138221e-10,
3.1073717555637876,
12.797247143987999
],
[
2.066204000421831,
2.4773282407766453,
1.0906438560120004
],
[
5.291126229138221e-10,
3.1073717555637876,
8.034589356012
],
[
2.066204000421831,
2.4773282407766453,
5.853301643988001
],... | [
[
4.132408,
0,
2.530370114985458e-16
],
[
-2.066203999049056,
5.584699996340433,
3.6461826571875633e-16
],
[
0,
0,
13.887891
]
] | [
3,
3,
3,
3,
71,
71,
71,
71,
71,
71,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | mp-3440 | Cmcm | Ge-Li-Lu | 0.068701 | 0 | null | 0.003963 | 2,774.596506 | 66.699715 |
[
[
0,
0,
0
],
[
-2.1462328848387122e-16,
3.505064295,
3.505064295
],
[
2.1144947549999995,
5.785065576707957,
4.730127308292043
],
[
2.114494755,
1.2250630132920426,
2.2800012817079574
],
[
2.1144947549999995,
4.730127308292042,
1.2250630132... | [
[
4.22898951,
0,
2.5895092335246166e-16
],
[
-4.2924657696774243e-16,
7.01012859,
4.2924657696774243e-16
],
[
0,
0,
7.01012859
]
] | [
3,
3,
71,
71,
71,
71,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002283635> | P4/mbm | Ge-Li-Lu | 0.089059 | null | null | 0.000016 | 2,768.028995 | 72.963615 |
[
[
-0.31316801147118345,
-0.5628008994028716,
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],
[
0.31316801147118406,
0.5628008994028727,
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],
[
-2.161480592427257,
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],
[
2.1614805924272567,
0.9359397504767654,
-2.6979652614435... | [
[
-2.7400076426886737,
4.416959869793068,
-0.9547449320475675
],
[
5.197804957225188,
0,
-0.9547449320475675
],
[
-2.457797314536514,
-4.416959869793068,
-5.735602735904865
]
] | [
65,
65,
31,
31,
31,
31,
27,
27,
27,
27,
27
] | [
1,
1,
1
] | alex<agm003365958> | Fmmm | Co-Ga-Tb | 0.069594 | null | null | 0.005517 | 2,592.335219 | 122.930649 |
[
[
4.7391375,
1.2804802753956421,
2.7623985222951783
],
[
1.5797124999999999,
4.750133747095962,
2.3448533798862283
],
[
4.7391375,
3.497376204361714,
-0.3577384923501214
],
[
1.5797124999999999,
2.5332378181298907,
5.464990394531529
],
[
4.7391375,... | [
[
6.31885,
0,
3.869179713396127e-16
],
[
-3.6926860797687434e-16,
6.030614022491604,
-2.7954265978185933
],
[
0,
0,
7.9026785
]
] | [
37,
37,
37,
37,
15,
15,
15,
15,
78,
78
] | [
1,
1,
1
] | mp-1205641 | Cmcm | P-Pt-Rb | 0 | 0.9318 | null | -0.000001 | 7,282.826642 | 22.688599 |
[
[
-3.845916755822083,
-2.4620372625832085,
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],
[
-7.009315356267141,
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-6.066577195182174
],
[
-0.6825181553770246,
-0.4369270677489223,
-6.121893578663416
],
[
-1.966564920455254,
-1.2589341945896775,
-2.939026756859812... | [
[
-2.269796452861309,
-4.924074525166417,
-2.1873831169227955
],
[
-5.422037058782857,
0,
-2.1873831169227955
],
[
0,
0,
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]
] | [
37,
37,
37,
15,
15,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002232490> | R-3m | P-Pt-Rb | 0 | null | null | 0.002686 | 7,946.129635 | 41.792595 |
[
[
-3.037116865445342,
-1.8718867081215844,
-9.869402995519826
],
[
-1.709412225435597,
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-4.334693309875471
],
[
-6.420228050473673,
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-8.94230334727461
],
[
-5.0925234104639285,
-3.138709277638425,
-3.4075936616302567... | [
[
-2.520712940068423,
-5.010595985760008,
-1.7841172685750404
],
[
-5.608927335840847,
0,
-1.7841172685750404
],
[
0,
0,
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]
] | [
37,
37,
37,
37,
15,
15,
78
] | [
1,
1,
1
] | alex<agm003460491> | R-3m | P-Pt-Rb | 0.029257 | null | null | 0.007319 | 6,916.689149 | 15.954756 |
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