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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1.9476640964... | [
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1.8650... | [
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[
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-5.359045460876847,
0.9303243660652177
],
[
-4.364266757102179,
0,
-4.683243785908692
]
] | [
57,
57,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm002243492> | C2/m | Ir-La-Sn | 0.065165 | null | null | 0.000001 | 5,268.000456 | 78.737556 |
[
[
3.5037115350000003,
3.4484650126757996,
6.695050175617028
],
[
1.167903845,
0.23352498732419996,
2.5998419556170274
],
[
3.503711535,
7.1304550126757995,
5.590574484382973
],
[
1.1679038449999999,
3.9155149873242,
1.4953662643829733
],
[
1.167903... | [
[
4.67161538,
0,
2.860539410982273e-16
],
[
-4.509137267992563e-16,
7.36398,
4.509137267992563e-16
],
[
0,
0,
8.19041644
]
] | [
57,
57,
57,
57,
50,
50,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002189135> | Pnma | Ir-La-Sn | 0.021123 | null | null | 0.000214 | 5,268.000456 | 96.556023 |
[
[
-2.5056227739203852e-16,
4.091992524971115,
5.949103281168136
],
[
2.345619,
0.46738157722665963,
1.6965471918519646
],
[
-1.5086275327379617e-16,
2.4637757331964236,
0.03884331285117884
],
[
2.345619,
1.9459689577301276,
7.063667742871033
],
[
-... | [
[
4.691238,
0,
2.872554800369216e-16
],
[
-2.7922344737086875e-16,
4.560064952038008,
-1.2562517329116762
],
[
0,
0,
8.90440992
]
] | [
57,
57,
50,
50,
50,
50,
77
] | [
1,
1,
1
] | mp-1223426 | Amm2 | Ir-La-Sn | 0.034011 | 0 | null | 0.000013 | 3,566.776341 | 62.840061 |
[
[
2.193396725,
3.055634582943292,
1.7653334693128748
],
[
2.193396725,
0.0015145319321690084,
5.105909195987341
],
[
2.1933967249999995,
4.424058917772456,
-2.5491201822497636
],
[
-3.486340118229005e-16,
5.693625493744532,
3.2893814273297868
],
[
... | [
[
4.38679345,
0,
2.6861362785315373e-16
],
[
-4.576732672697114e-16,
7.474371673340613,
-4.3096484806193835
],
[
0,
0,
8.62782139
]
] | [
57,
57,
57,
57,
57,
57,
50,
50,
77
] | [
1,
1,
1
] | alex<agm003493674> | P-62m | Ir-La-Sn | 0.025946 | null | null | -0.001021 | 3,731.138507 | 53.114697 |
[
[
2.274096607045293,
1.3898763460583783,
5.632302932064375
],
[
0,
0,
0
],
[
-2.476255064192713e-8,
4.03889913023261,
1.1836777132027199
],
[
2.274096606794532,
1.8908679593491347,
2.3318194581248246
],
[
-2.4511789983668712e-8,
3.5379075169418... | [
[
4.54819317,
0,
2.784965103772177e-16
],
[
-2.2740965877172576,
5.428775476290988,
-2.081917164732904
],
[
0,
0,
8.89789781
]
] | [
20,
20,
20,
12,
12,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003339512> | C2/m | Ca-Ga-Mg | 0.045774 | null | null | -0 | 1,640.589097 | 39.769161 |
[
[
3.828194485256222,
1.4614352573909943,
0.8659994760833507
],
[
0.9293416471648898,
3.535236525917578,
2.0481760045990143
],
[
-0.929341705531563,
3.535236525917578,
6.191413939599014
],
[
1.9695111325597692,
1.4614352573909943,
5.009237411083351
],
[... | [
[
5.79770556,
0,
3.550070778226406e-16
],
[
-2.898852780275341,
4.996671783308573,
-1.2290624543176356
],
[
0,
0,
8.28647587
]
] | [
57,
57,
57,
57,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003400536> | C2/c | Ir-La-Sn | 0 | null | null | -0.000004 | 5,825.559301 | 90.560982 |
[
[
0,
0,
0
],
[
2.38258744,
0,
5.425555359132363
],
[
-1.4589140410423433e-16,
2.38258744,
5.425555359132363
],
[
2.38258744,
2.38258744,
2.9178280820846865e-16
],
[
-1.4589140410423433e-16,
2.38258744,
2.3855303308676374
],
[
2.3825... | [
[
4.76517488,
0,
2.9178280820846865e-16
],
[
-2.9178280820846865e-16,
4.76517488,
2.9178280820846865e-16
],
[
0,
0,
7.81108569
]
] | [
57,
50,
50,
50,
50,
50,
77
] | [
1,
1,
1
] | alex<agm002189001> | P4/mmm | Ir-La-Sn | 0.089602 | null | null | -0.000073 | 3,384.400162 | 56.116947 |
[
[
0,
0,
0
],
[
4.178158834758206,
-3.0519508692466966,
-4.754123598151506
],
[
3.535911149248407,
0.7661627290135768,
-1.3535661741356289
],
[
3.9943391264590646,
3.051950869246697,
2.5605933553693454
],
[
3.0605819747294287,
4.440892098500626e... | [
[
2.119314210652724,
5.742573933154266,
3.4005574242514034
],
[
4.001849738806134,
-5.742573933154266,
0.2012018322000009
],
[
0,
0,
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]
] | [
57,
50,
50,
50,
50,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002243330> | I-42m | Ir-La-Sn | 0 | null | null | -0.000001 | 5,288.114052 | 118.981842 |
[
[
0.005758990867149701,
0.7954431994184925,
1.880911805
],
[
2.278051062775895,
4.8546048377190205,
5.642735415000001
],
[
0.016979146968389876,
3.9849995032684227,
0.34376025661602116
],
[
0.016979146968389876,
3.9849995032684227,
3.4180633533839795
],
... | [
[
4.52541856,
0,
2.7710196771530124e-16
],
[
-2.2416085063569553,
5.650048037137513,
3.7219921333225e-16
],
[
0,
0,
7.52364722
]
] | [
57,
57,
50,
50,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm002243221> | Cmcm | Ir-La-Sn | 0.002825 | null | null | 0.000002 | 4,502.13272 | 79.741875 |
[
[
3.920298748491789,
1.1699571325,
6.673495836434043
],
[
0.5035955565809633,
3.5098713975,
2.1219886424095016
],
[
1.1129016601835904,
1.1699571325,
4.68940740590004
],
[
3.3109926448891622,
3.5098713975,
4.106077072943505
],
[
2.4008337252906373,... | [
[
4.423894305072753,
0,
-1.0498894611564553
],
[
-2.8655685149114816e-16,
4.67982853,
2.8655685149114816e-16
],
[
0,
0,
9.84537394
]
] | [
57,
57,
50,
50,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm002188864> | Cmcm | Ir-La-Sn | 0.011701 | null | null | 0.000108 | 4,502.13272 | 75.778992 |
[
[
3.4793951325,
1.5510576992168814,
1.6442308742796332
],
[
1.1597983774999998,
2.2404803407831184,
7.429907544279634
],
[
1.1597983774999996,
6.032018380783118,
9.927122465720366
],
[
3.4793951324999997,
5.342595739216882,
4.141445795720368
],
[
3... | [
[
4.63919351,
0,
2.8406867413233376e-16
],
[
-4.643294924531429e-16,
7.58307608,
4.643294924531429e-16
],
[
0,
0,
11.57135334
]
] | [
57,
57,
57,
57,
50,
50,
50,
50,
50,
50,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003628450> | Pnma | Ir-La-Sn | 0.05205 | null | null | 0.000053 | 4,502.13272 | 69.16938 |
[
[
2.306182797878328,
-7.392970145855293,
0.12283456372858903
],
[
-2.784652077297127,
-4.412102559754641,
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],
[
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],
[
3.5831259560180375,
-3.457945910651982,
-1.5757881346143883... | [
[
5.6518726054412465,
0,
-2.093856538181763
],
[
0.7984738787209105,
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2.1552921888440166
],
[
-5.6518726054412465,
0,
-6.581021241818236
]
] | [
57,
57,
57,
57,
57,
57,
57,
57,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm003738944> | C2/c | Ir-La-Sn | 0.080579 | null | null | -0.000046 | 4,225.426416 | 47.999477 |
[
[
0,
0,
0
],
[
1.0335651625664587e-16,
-1.6879400056997118,
2.92359785
],
[
-1.0335651625664582e-16,
1.6879400056997111,
2.9235978499999997
],
[
2.0882930300000004,
-2.531910008549567,
4.385396775
],
[
2.08829303,
-2.531910008549567,
1.4617... | [
[
4.17658606,
0,
2.557421374871228e-16
],
[
-3.1006954876993753e-16,
5.063820017099134,
2.923597850000001
],
[
3.1006954876993753e-16,
-5.063820017099134,
2.9235978499999993
]
] | [
57,
50,
50,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002188866> | P6/mmm | Ir-La-Sn | 0.084283 | null | null | -0.000006 | 6,356.928264 | 129.777374 |
[
[
2.3408105757988045,
1.4584605471670997,
5.719105295884199
],
[
0,
0,
0
],
[
2.3015840262158722e-9,
4.20224203379148,
1.5300239163226785
],
[
2.340810599683691,
2.328969107376517,
0.012726232911382997
],
[
-2.1583302644250046e-8,
3.33173347358... | [
[
4.68162115,
0,
2.866666178084025e-16
],
[
-2.3408105718996115,
5.66070258095858,
-1.7154113677931226
],
[
0,
0,
8.96454058
]
] | [
57,
57,
57,
50,
50,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm003338689> | C2/m | Ir-La-Sn | 0.07145 | null | null | 0.000101 | 4,349.495284 | 69.78978 |
[
[
0,
0,
6.598717482133363
],
[
0,
0,
1.7069637578666363
],
[
1.8114897,
1.8114897,
4.15284062
],
[
1.8114897,
1.8114897,
2.2184350627933991e-16
]
] | [
[
3.6229794,
0,
2.2184350627933991e-16
],
[
-2.2184350627933991e-16,
3.6229794,
2.2184350627933991e-16
],
[
0,
0,
8.30568124
]
] | [
57,
57,
50,
77
] | [
1,
1,
1
] | alex<agm001127594> | P4/mmm | Ir-La-Sn | 0.091935 | null | null | -0.000001 | 4,756.487435 | 61.831932 |
[
[
-1.3786823745005367e-16,
2.251559185,
8.276492242386624
],
[
2.251559185,
0,
2.749198997613377
],
[
-1.3786823745005367e-16,
2.251559185,
1.430046707740437
],
[
2.251559185,
2.251559185,
5.51284562
],
[
2.251559185,
0,
9.595644532259564
... | [
[
4.50311837,
0,
2.7573647490010735e-16
],
[
-2.7573647490010735e-16,
4.50311837,
2.7573647490010735e-16
],
[
0,
0,
11.02569124
]
] | [
57,
57,
50,
50,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002188865> | P4/nmm | Ir-La-Sn | 0 | null | null | 0.00029 | 5,663.851095 | 110.177109 |
[
[
0,
0,
0
],
[
1.2054295951342753,
-1.0445922566268129,
3.1961968950000004
],
[
3.0158596476387527,
1.0445922566268135,
1.6041588740058514
],
[
2.8229782457004595,
-1.6136109073946239,
1.0927338497573538
],
[
1.3983109970725687,
1.6136109073946... | [
[
0.600429137764073,
-4.178369026507253,
1.592038020994149
],
[
4.221289242773028,
0,
-1.592038020994149
],
[
-0.600429137764073,
4.178369026507253,
4.800355769005851
]
] | [
57,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm002946898> | I4/mmm | Ir-La-Sn | 0.050331 | null | null | 0.000085 | 5,663.851095 | 114.678658 |
[
[
-2.3365701720350187e-16,
3.8159086745040773,
8.562677310639845
],
[
-5.1509384756184656e-17,
0.8412120913890845,
5.098896733357298
],
[
2.33083058,
2.328560382946581,
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],
[
2.3308305799999998,
4.24735747533698,
11.234151928513679
],
... | [
[
4.66166116,
0,
2.854444209151769e-16
],
[
-2.8516640195968655e-16,
4.657120765893162,
-0.7658401760028564
],
[
0,
0,
14.42741422
]
] | [
57,
57,
57,
50,
50,
50,
50,
50,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm002357732> | Cmmm | Ir-La-Sn | 0.005962 | null | null | 0.000001 | 3,749.553178 | 61.100208 |
[
[
0,
0,
-4.697931985
],
[
0,
0,
0
],
[
-2.055594165,
1.1867978445073746,
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],
[
-2.055594165,
-1.1867978445073748,
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],
[
-2.055594165,
-1.1867978445073748,
-2.3489659925000006
],
[
-2.055594165,
1.... | [
[
-2.0555941650000005,
-3.5603935335221224,
-5.034753629026453e-16
],
[
-2.0555941649999996,
3.5603935335221224,
2.5173768145132263e-16
],
[
0,
0,
-9.39586397
]
] | [
38,
38,
29,
29,
14,
14
] | [
1,
1,
1
] | mp-1206169 | P6_3/mmc | Cu-Si-Sr | 0.013677 | 0 | null | null | 2,154.874576 | 52.829361 |
[
[
3.1962395669603327,
-1.0343192761728324,
3.2879839684254883
],
[
3.973736561774657,
2.065559876366529,
5.980369821357339
],
[
2.4005759152052333,
0.35525342526408876,
0.53268891792509
],
[
1.2772019135761998,
1.3885464761105422,
4.42280848292509
],
[... | [
[
0.3458770068147099,
-4.133172203385814,
1.1977337120681495
],
[
4.147618999701425,
0,
-1.1977337120681495
],
[
-0.3458770068147099,
4.133172203385814,
6.58250541793185
]
] | [
38,
38,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm002382329> | I4_1md | Cu-Si-Sr | 0.04123 | null | null | 0.000038 | 2,154.874576 | 56.111523 |
[
[
0.7581047579304507,
0.7581047579304507,
0.7581047579304508
],
[
5.68636243206955,
3.9803383529304504,
2.4641288370695498
],
[
2.464128837069549,
5.68636243206955,
3.9803383529304512
],
[
3.9803383529304504,
2.4641288370695493,
5.68636243206955
],
[
... | [
[
6.44446719,
0,
3.946098058221819e-16
],
[
-3.946098058221819e-16,
6.44446719,
3.946098058221819e-16
],
[
0,
0,
6.44446719
]
] | [
38,
38,
38,
38,
29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002187428> | P2_13 | Cu-Si-Sr | 0.03257 | null | null | -0 | 2,154.874576 | 51.648224 |
[
[
1.7535992,
1.7535992,
1.65901676899829
],
[
1.7535992,
1.7535992,
5.871724369723488
],
[
1.7535992,
1.7535992,
10.09083097
],
[
1.7535992,
1.7535992,
14.309937570276514
],
[
1.7535992,
1.7535992,
18.522645171001713
],
[
0,
0,
... | [
[
3.5071984,
0,
2.1475396472673593e-16
],
[
-2.1475396472673593e-16,
3.5071984,
2.1475396472673593e-16
],
[
0,
0,
20.18166194
]
] | [
69,
69,
69,
69,
69,
49,
49,
49,
49,
29
] | [
1,
1,
1
] | alex<agm003643020> | P4/mmm | Cu-In-Tm | 0.002567 | null | null | 0.000558 | 2,656.213777 | 41.843216 |
[
[
0,
0,
0
],
[
2.985599903099581,
1.028396625426895,
1.9705349071929072
],
[
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[
2.689814613175608,
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1.1045567726453436
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[
1.4520552176003994,
1.632607245030622,... | [
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[
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0,
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[
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] | [
20,
12,
12,
31,
31
] | [
1,
1,
1
] | alex<agm002343366> | I4/mmm | Ca-Ga-Mg | 0.042719 | null | null | -0.000035 | 1,531.421884 | 43.773605 |
[
[
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[
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[
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[
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[
1... | [
[
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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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38,
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38,
29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002241684> | Pnma | Cu-Si-Sr | 0.065426 | null | null | 0.000025 | 2,154.874576 | 45.260124 |
[
[
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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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29,
29,
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14
] | [
1,
1,
1
] | mp-7877 | I4/mmm | Cu-Si-Sr | 0 | 0 | null | 0 | 1,881.509729 | 80.887138 |
[
[
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[
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[
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[
2.... | [
[
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0,
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[
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[
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] | [
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29,
29,
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14,
14,
14
] | [
1,
1,
1
] | alex<agm002319288> | P4/nmm | Cu-Si-Sr | 0.0491 | null | null | -0 | 1,881.509729 | 78.334007 |
[
[
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[
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[
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[
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] | [
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] | [
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29,
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14
] | [
1,
1,
1
] | alex<agm003186954> | R-3m | Cu-Si-Sr | 0.00389 | null | null | 0.000013 | 1,983.478001 | 68.712334 |
[
[
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[
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[
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[
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] | [
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29,
29,
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1,
1,
1
] | alex<agm003177125> | R3m | Cu-Si-Sr | 0.044448 | null | null | -0 | 1,983.478001 | 62.502735 |
[
[
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[
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[
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[
-2... | [
[
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[
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[
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] | [
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29,
29,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm002241636> | P6_3/mmc | Cu-Si-Sr | 0 | null | null | 0 | 1,983.478001 | 65.371696 |
[
[
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[
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[
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[
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[
3.1... | [
[
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[
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[
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] | [
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29,
29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm003617089> | Pnma | Cu-Si-Sr | 0.076418 | null | null | 0 | 1,983.478001 | 61.908875 |
[
[
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[
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[
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[
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[
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... | [
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[
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] | [
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29,
29,
29,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm003475309> | Immm | Cu-Si-Sr | 0.051607 | null | null | -0 | 1,723.921555 | 88.422958 |
[
[
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[
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0.570184810305643... | [
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[
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] | [
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38,
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29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm003425162> | C2/m | Cu-Si-Sr | 0.035263 | null | null | -0.000081 | 1,809.017759 | 79.555641 |
[
[
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[
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[
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[
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[
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[
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[
-2.019... | [
[
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[
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[
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0,
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] | [
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38,
29,
29,
29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002240099> | P6_3/mmc | Cu-Si-Sr | 0.080742 | null | null | -0 | 1,809.017759 | 91.6138 |
[
[
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[
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[
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[
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[
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[
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[
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[
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] | [
3,
12,
12,
12,
12,
12,
12,
13
] | [
1,
1,
1
] | mp-1023399 | Amm2 | Al-Li-Mg | 0.059191 | 0 | null | 0.000009 | 717.924429 | 38.075443 |
[
[
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[
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[
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[
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[
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[
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] | [
38,
38,
29,
14
] | [
1,
1,
1
] | alex<agm004008872> | Amm2 | Cu-Si-Sr | 0.034626 | null | null | 0.000737 | 2,432.348527 | 33.145531 |
[
[
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[
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[
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[
1.10169... | [
[
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[
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[
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] | [
38,
38,
38,
38,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm003628947> | P2_1/m | Cu-Si-Sr | 0.033384 | null | null | -0.000001 | 2,432.348527 | 33.183178 |
[
[
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[
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[
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0,
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[
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... | [
[
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[
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[
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] | [
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29,
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29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm003301051> | R-3m | Cu-Si-Sr | 0.084768 | null | null | 0.000172 | 1,698.188673 | 102.856918 |
[
[
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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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[
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0,
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]
] | [
38,
29,
29,
29,
29,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm003483521> | P4/mmm | Cu-Si-Sr | 0.028707 | null | null | -0.000212 | 1,696.821548 | 87.072769 |
[
[
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[
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[
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[
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[
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] | [
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29,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002240872> | I4mm | Cu-Si-Sr | 0.056862 | null | null | 0 | 1,879.325468 | 71.270203 |
[
[
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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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[
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0,
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]
] | [
38,
38,
29,
29,
29,
14
] | [
1,
1,
1
] | alex<agm003411884> | Pmm2 | Cu-Si-Sr | 0.05388 | null | null | -0 | 2,131.574372 | 54.033432 |
[
[
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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,
2.56941615... | [
[
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[
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[
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0,
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]
] | [
38,
29,
29,
29,
29,
14
] | [
1,
1,
1
] | alex<agm003756439> | Cmmm | Cu-Si-Sr | 0.028397 | null | null | -0 | 1,817.357616 | 84.885361 |
[
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[
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[
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[
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[
1.593737307... | [
[
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[
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[
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]
] | [
38,
29,
29,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm003461354> | Cmmm | Cu-Si-Sr | 0.032221 | null | null | -0 | 1,759.675859 | 84.370064 |
[
[
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[
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[
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[
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[
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... | [
[
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[
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[
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] | [
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29,
29,
29,
29,
29,
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29,
14,
14
] | [
1,
1,
1
] | alex<agm003358793> | Immm | Cu-Si-Sr | 0.070876 | null | null | -0 | 1,911.0293 | 74.694519 |
[
[
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[
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[
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... | [
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[
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] | [
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38,
38,
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29,
29,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002240873> | Fmmm | Cu-Si-Sr | 0 | null | null | 0 | 2,183.290124 | 53.900692 |
[
[
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[
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[
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[
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[
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] | [
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12,
12,
12,
12,
12,
12,
13
] | [
1,
1,
1
] | mp-1023320 | Amm2 | Al-Li-Mg | 0.057825 | 0 | null | 0.000007 | 717.924429 | 38.433567 |
[
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[
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] | [
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29,
14,
14
] | [
1,
1,
1
] | alex<agm003309518> | C2/m | Cu-Si-Sr | 0.092188 | null | null | 0.000188 | 2,056.273087 | 57.496155 |
[
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[
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] | [
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29,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm003343133> | Ibam | Cu-Si-Sr | 0.047092 | null | null | -0.000092 | 1,882.400583 | 79.648506 |
[
[
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] | [
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29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002186105> | P2_1/m | Cu-Si-Sr | 0.046531 | null | null | -0 | 1,998.437327 | 63.533363 |
[
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[
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... | [
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[
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29,
14,
14,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm003617090> | Pnma | Cu-Si-Sr | 0.047136 | null | null | 0 | 1,998.437327 | 60.088329 |
[
[
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[
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-3.060206143251283... | [
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] | [
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29,
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29,
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14
] | [
1,
1,
1
] | alex<agm002317125> | C2/c | Cu-Si-Sr | 0.050753 | null | null | -0.000015 | 2,253.038958 | 48.131229 |
[
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[
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-1.0979303671594... | [
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[
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0,
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] | [
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29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002316617> | Immm | Cu-Si-Sr | 0.022743 | null | null | 0.000097 | 2,037.220402 | 66.140015 |
[
[
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[
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[
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[
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] | [
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42,
44,
44
] | [
1,
1,
1
] | mp-1228655 | Immm | B-Mo-Ru | 0.076691 | 0 | null | -0.00001 | 6,480.909634 | 323.324432 |
[
[
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[
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[
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[
0.7... | [
[
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[
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[
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0,
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] | [
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5,
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42,
42,
42,
42,
44,
44,
44,
44
] | [
1,
1,
1
] | alex<agm002137781> | Pnma | B-Mo-Ru | 0.060861 | null | null | -0.000096 | 6,441.42796 | 284.73642 |
[
[
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[
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[
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[
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[
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... | [
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[
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] | [
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12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
13
] | [
1,
1,
1
] | mp-1028208 | P-6m2 | Al-Li-Mg | 0.040257 | 0 | null | 0 | 604.68533 | 38.14949 |
[
[
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[
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[
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[
1.83... | [
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[
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] | [
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24,
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27,
27,
27,
33,
33,
33
] | [
1,
1,
1
] | mp-1206397 | P-62m | As-Co-Cr | 0.030074 | 0 | null | 0.08114 | 3,615.748186 | 141.807449 |
[
[
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[
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[
... | [
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[
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] | [
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27,
27,
27,
27,
27,
33,
33,
33,
33,
33,
33
] | [
1,
1,
1
] | alex<agm001050432> | P2_1/m | As-Co-Cr | 0.022438 | null | null | 0.059459 | 3,615.748186 | 148.311081 |
[
[
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[
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[
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0,
4.66720... | [
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[
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[
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0,
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] | [
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27,
27,
27,
27,
27,
33
] | [
1,
1,
1
] | alex<agm002266206> | P4/mmm | As-Co-Cr | 0.082567 | null | null | 0.017618 | 3,103.698317 | 206.178802 |
[
[
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[
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1.74062379075902... | [
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] | [
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9,
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9,
9,
9
] | [
1,
1,
1
] | mp-1206148 | I4/mmm | Dy-F-Rb | 0.086391 | 4.8721 | null | -0 | 4,153.09007 | 19.711025 |
[
[
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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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66,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1206146 | Fm-3m | Dy-F-Rb | 0.049469 | 5.906 | null | -0.000006 | 4,153.09007 | 31.808674 |
[
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[
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[
2.472176843632261,
4.780741394508569... | [
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[
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] | [
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37,
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66,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002210549> | I4/m | Dy-F-Rb | 0.015204 | null | null | -0 | 4,153.09007 | 23.010262 |
[
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[
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[
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3.45162984... | [
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] | [
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66,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003579796> | P2_1/c | Dy-F-Rb | 0 | null | null | 0 | 4,153.09007 | 17.604128 |
[
[
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[
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[
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... | [
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] | [
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37,
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66,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002210551> | P-1 | Dy-F-Rb | 0.005757 | null | null | -0 | 4,153.09007 | 16.613554 |
[
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[
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[
3.1612026... | [
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[
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] | [
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12,
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12,
12,
12,
12,
12,
13
] | [
1,
1,
1
] | mp-1028223 | Amm2 | Al-Li-Mg | 0.037429 | 0 | null | 0 | 604.68533 | 37.7374 |
[
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[
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5.46923714... | [
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[
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] | [
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37,
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9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002148859> | P-62m | Dy-F-Rb | 0.053263 | null | null | 0.006417 | 3,800.291346 | 26.208261 |
[
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[
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[
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[
0,
0,
6.65535911
]
] | [
37,
37,
66,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003476902> | P4/mmm | Dy-F-Rb | 0.087151 | null | null | -0 | 3,902.296588 | 23.586397 |
[
[
3.7523771240858665,
1.3196218110243016,
0.7905446274399845
],
[
2.069269042875699,
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],
[
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3.445641025
],
[
0,
0,
0
],
[
2.5177371005547964,
3.579266137221129,
1.7... | [
[
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],
[
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0,
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],
[
-1.2969471195446356,
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]
] | [
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37,
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66,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002362209> | I4_1/amd | Dy-F-Rb | 0.086989 | null | null | 0.000001 | 3,489.758886 | 52.331604 |
[
[
1.4395450379966266,
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],
[
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[
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[
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[
3.8809209665255238,
-0.43796520075552... | [
[
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],
[
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0,
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],
[
-0.1745258756937353,
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]
] | [
37,
37,
66,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm001081920> | I4/mmm | Dy-F-Rb | 0.079858 | null | null | 0.000088 | 4,013.768358 | 28.030449 |
[
[
0,
0,
0
],
[
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],
[
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[
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],
[
-2.5931424887492504e-16,
4.23492306607047... | [
[
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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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66,
66,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002210898> | Cmmm | Dy-F-Rb | 0 | null | null | 0.000064 | 3,164.539657 | 51.337288 |
[
[
3.795927942865439,
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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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]
] | [
37,
37,
66,
66,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003322644> | Cmmm | Dy-F-Rb | 0.099599 | null | null | 0.000995 | 3,549.865062 | 35.507408 |
[
[
1.4002171580418383,
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[
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[
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[
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],
... | [
[
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[
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[
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] | [
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56,
60,
60,
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31,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-1205363 | P-1 | Ba-Ga-Nd-Se | 0 | 1.6574 | null | null | 2,220.291957 | 29.096188 |
[
[
1.6582256992615068,
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[
4.956172393105391,
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[
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[
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[
5.113609420947584... | [
[
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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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56,
60,
60,
31,
31,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm005052836> | P2_1/m | Ba-Ga-Nd-Se | 0.033851 | null | null | 0 | 2,241.793228 | 32.623604 |
[
[
2.563129575251874,
4.326321498048,
5.421467081874847
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[
5.636175867942487,
2.080082501952,
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[
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1.6583042185145869
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[
5.661313386616698,
2.097642455316,
5.376939247822565
],
[
5.6286837... | [
[
6.1460925853812265,
0,
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[
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6.406404,
3.9227910763224e-16
],
[
0,
0,
7.4350125
]
] | [
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30,
29,
29,
29,
29,
14,
14,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | mp-1189702 | Pc | Cu-S-Si-Zn | 0 | 1.61 | null | 0.000016 | 1,350.911074 | 69.797256 |
[
[
-3.1261354720047825,
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[
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[
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],
[
-3.8859285119673594,
-3.426249893556288,
-1.1905985699493... | [
[
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],
[
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0,
0.2979669068203291
],
[
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0,
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]
] | [
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
12,
12,
12,
12,
12,
12,
13
] | [
1,
1,
1
] | alex<agm003691867> | R-3 | Al-Li-Mg | 0.06291 | null | null | 0 | 1,756.020011 | 22.798923 |
[
[
2.113282443796,
4.200037414324,
3.6868440000000002
],
[
5.1905854437959995,
2.250374585676,
4.556273941338139e-16
],
[
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5.54689366644
],
[
2.0621253587240003,
1.1160760858880001,
1.82679433356
],
[
5.1394283... | [
[
6.154606,
0,
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],
[
-3.9497382044908386e-16,
6.450412,
3.9497382044908386e-16
],
[
0,
0,
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]
] | [
30,
30,
29,
29,
29,
29,
14,
14,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | mp-977414 | Pmn2_1 | Cu-S-Si-Zn | 0.001626 | 1.2823 | null | 0.000009 | 1,350.911074 | 68.560295 |
[
[
4.868497503835782,
5.89741575,
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],
[
2.839065477904993,
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],
[
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],
[
3.09866966494503,
1.96580525,
1.2688479564607393
],
[
2.434143881408179,
3.931... | [
[
5.519500511120387,
0,
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],
[
-4.814834214319125e-16,
7.863221,
4.814834214319125e-16
],
[
0,
0,
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]
] | [
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37,
73,
73,
29,
29,
29,
29,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-11925 | Ama2 | Cu-Rb-Se-Ta | 0 | 1.7333 | null | 0.000006 | 3,062.095902 | 18.87837 |
[
[
-7.453321692424466,
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[
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[
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],
[
-4.666974733585148,
-5.380839150424933,
4.043913035813299
]... | [
[
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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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37,
37,
37,
73,
73,
29,
29,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-664012 | P1 | Cu-Rb-Se-Ta | 0.0084 | 1.9771 | null | -0 | 3,541.209492 | 12.721147 |
[
[
1.5645902885206209,
1.9347179875,
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],
[
4.222540114840437,
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[
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],
[
0.18977233251396794,
5.8041539625,
2.8213951777069046
],
[
2.692635918333225,... | [
[
5.787130403361059,
0,
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],
[
-4.738692381289368e-16,
7.73887195,
4.738692381289368e-16
],
[
0,
0,
10.29756951
]
] | [
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37,
73,
73,
29,
29,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm005052589> | P2_1/m | Cu-Rb-Se-Ta | 0.078976 | null | null | 0.000135 | 3,215.803997 | 11.611135 |
[
[
1.6026729856270014,
1.6758513442818832,
7.587277161191787
],
[
2.4400358064932495,
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],
[
1.0557724068885377,
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4.99817364
],
[
2.9869363852317137,
1.0096706496456698,
4.144225638457388
],
[
... | [
[
0.18038083543389954,
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],
[
4.042708792120251,
0,
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],
[
-0.18038083543389954,
4.03868259858268,
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]
] | [
38,
38,
30,
30,
30,
33,
33,
8,
8
] | [
1,
1,
1
] | mp-1205966 | I4/mmm | As-O-Sr-Zn | 0.000242 | 0.6226 | null | 0.000019 | 2,736.126649 | 57.753723 |
[
[
-2.1529049250000005,
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],
[
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1.2429802379884212,
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],
[
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],
[
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1.2429802379884212,
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],
[
... | [
[
-2.1529049250000005,
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],
[
-2.1529049249999996,
3.7289407139652635,
2.6365481252698227e-16
],
[
0,
0,
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]
] | [
38,
38,
30,
30,
33,
33,
8,
8
] | [
1,
1,
1
] | alex<agm002300480> | P-3m1 | As-O-Sr-Zn | 0.006696 | null | null | 0 | 2,848.219717 | 61.267445 |
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