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{
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"results": [
{
"id": "mp-1177997",
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"structure_string": "Li8 Fe12 Bi4 O32\n1.0\n8.688468 0.000000 0.000000\n0.000000 8.688468 0.000000\n0.000000 0.000000 8.688468\nLi Fe Bi O\n8 12 4 32\ndirect\n0.501135 0.501135 0.501135 Li\n0.748865 0.748865 0.748865 Li\n0.751135 0.251135 0.248865 Li\n0.998865 0.498865 0.001135 Li\n0.001135 0.998865 0.498865 Li\n0.248865 0.751135 0.251135 Li\n0.251135 0.248865 0.751135 Li\n0.498865 0.001135 0.998865 Li\n0.610772 0.639228 0.125000 Fe\n0.625000 0.889228 0.360772 Fe\n0.639228 0.125000 0.610772 Fe\n0.860772 0.875000 0.110772 Fe\n0.875000 0.110772 0.860772 Fe\n0.889228 0.360772 0.625000 Fe\n0.110772 0.860772 0.875000 Fe\n0.125000 0.610772 0.639228 Fe\n0.139228 0.375000 0.389228 Fe\n0.360772 0.625000 0.889228 Fe\n0.375000 0.389228 0.139228 Fe\n0.389228 0.139228 0.375000 Fe\n0.625000 0.375000 0.875000 Bi\n0.875000 0.625000 0.375000 Bi\n0.125000 0.125000 0.125000 Bi\n0.375000 0.875000 0.625000 Bi\n0.604938 0.621962 0.887732 O\n0.612268 0.395062 0.121962 O\n0.619045 0.119045 0.380955 O\n0.628038 0.645062 0.362268 O\n0.621962 0.887732 0.604938 O\n0.630955 0.869045 0.130955 O\n0.637732 0.128038 0.854938 O\n0.645062 0.362268 0.628038 O\n0.854938 0.637732 0.128038 O\n0.862268 0.871962 0.354938 O\n0.869045 0.130955 0.630955 O\n0.878038 0.112268 0.104938 O\n0.871962 0.354938 0.862268 O\n0.880955 0.880955 0.880955 O\n0.887732 0.604938 0.621962 O\n0.895062 0.378038 0.387732 O\n0.104938 0.878038 0.112268 O\n0.112268 0.104938 0.878038 O\n0.119045 0.380955 0.619045 O\n0.128038 0.854938 0.637732 O\n0.121962 0.612268 0.395062 O\n0.130955 0.630955 0.869045 O\n0.137732 0.371962 0.145062 O\n0.145062 0.137732 0.371962 O\n0.354938 0.862268 0.871962 O\n0.362268 0.628038 0.645062 O\n0.369045 0.369045 0.369045 O\n0.378038 0.387732 0.895062 O\n0.371962 0.145062 0.137732 O\n0.380955 0.619045 0.119045 O\n0.387732 0.895062 0.378038 O\n0.395062 0.121962 0.612268 O\n",
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{
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"structure_string": "Na4 Sr1 Si3 O9\n1.0\n5.472037 3.873124 0.000000\n-5.472037 3.873124 0.000000\n0.000000 3.855210 5.460940\nNa Sr Si O\n4 1 3 9\ndirect\n0.503753 0.496247 0.000000 Na\n0.976046 0.023954 0.500000 Na\n0.977317 0.445068 0.026082 Na\n0.554932 0.022683 0.973918 Na\n0.504173 0.495827 0.500000 Sr\n0.430904 0.961426 0.535272 Si\n0.039331 0.960669 0.000000 Si\n0.038574 0.569096 0.464728 Si\n0.022144 0.753313 0.238588 O\n0.166265 0.426339 0.373709 O\n0.769793 0.423386 0.701469 O\n0.573661 0.833735 0.626291 O\n0.576614 0.230207 0.298531 O\n0.162072 0.227272 0.972266 O\n0.246687 0.977856 0.761412 O\n0.237006 0.762994 0.500000 O\n0.772728 0.837928 0.027734 O\n",
"nsites": 17,
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"elements": [
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"chemical_system": "Na-O-Si-Sr",
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"formula_full": "Na4 Sr1 Si3 O9",
"formula_reduced": "Na4Sr(SiO3)3",
"formula_anonymous": "AB3C4D9",
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},
{
"id": "mp-1023310",
"created_at": "2022-09-04T14:42:16.517850Z",
"structure_string": "Mg12 Al2 B2\n1.0\n4.956096 0.000000 0.000000\n0.000000 5.986351 0.000000\n0.000000 0.000000 10.461601\nMg Al B\n12 2 2\ndirect\n0.000000 0.260093 0.088972 Mg\n0.000000 0.739907 0.088972 Mg\n0.000000 0.000000 0.333728 Mg\n0.500000 0.746184 0.412611 Mg\n0.500000 0.253816 0.412611 Mg\n0.500000 0.000000 0.166062 Mg\n0.000000 0.760093 0.588972 Mg\n0.000000 0.239907 0.588972 Mg\n0.000000 0.500000 0.833728 Mg\n0.500000 0.246184 0.912611 Mg\n0.500000 0.753816 0.912611 Mg\n0.500000 0.500000 0.666062 Mg\n0.000000 0.500000 0.331697 Al\n0.000000 0.000000 0.831697 Al\n0.500000 0.500000 0.165347 B\n0.500000 0.000000 0.665347 B\n",
"nsites": 16,
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"elements": [
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"Al",
"B"
],
"chemical_system": "Al-B-Mg",
"density": 1.9647397902171941,
"density_atomic": 0.05154896416424855,
"volume": 310.3845103273035,
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"formula_full": "Mg12 Al2 B2",
"formula_reduced": "Mg6AlB",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:35:32.810000Z",
"spacegroup": 38
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{
"id": "mp-559727",
"created_at": "2022-09-04T14:42:16.519449Z",
"structure_string": "Tl4 Cu2 As2 O8\n1.0\n5.488766 0.000000 0.000000\n0.000000 6.167016 0.000000\n0.000000 1.471195 8.824785\nTl Cu As O\n4 2 2 8\ndirect\n0.011945 0.211332 0.814618 Tl\n0.500524 0.266103 0.488208 Tl\n0.511945 0.788668 0.185382 Tl\n0.000524 0.733897 0.511792 Tl\n0.437082 0.336055 0.012237 Cu\n0.937082 0.663945 0.987763 Cu\n0.011156 0.243791 0.217651 As\n0.511156 0.756209 0.782349 As\n0.827177 0.804303 0.796975 O\n0.430499 0.857441 0.598188 O\n0.978822 0.529506 0.188634 O\n0.478822 0.470494 0.811366 O\n0.850195 0.120830 0.089542 O\n0.327177 0.195697 0.203025 O\n0.930499 0.142559 0.401812 O\n0.350195 0.879170 0.910458 O\n",
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"elements": [
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"As",
"O"
],
"chemical_system": "As-Cu-O-Tl",
"density": 6.795651661550936,
"density_atomic": 0.05356314364001376,
"volume": 298.71286322424464,
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"formula_full": "Tl4 Cu2 As2 O8",
"formula_reduced": "Tl2CuAsO4",
"formula_anonymous": "ABC2D4",
"energy": -87.44757416,
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"updated_at": "2021-11-28T01:35:40.169000Z",
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},
{
"id": "mp-1207980",
"created_at": "2022-09-04T14:42:16.520197Z",
"structure_string": "Tm2 Zr2 F14\n1.0\n0.000000 -5.664627 0.000000\n-5.903495 0.000000 1.330962\n-0.069684 0.000000 -8.229583\nTm Zr F\n2 2 14\ndirect\n0.697503 0.653950 0.682572 Tm\n0.197503 0.346050 0.317428 Tm\n0.707272 0.811631 0.223347 Zr\n0.207272 0.188369 0.776653 Zr\n0.890962 0.455420 0.478400 F\n0.390962 0.544580 0.521600 F\n0.429063 0.919761 0.766392 F\n0.929063 0.080239 0.233608 F\n0.941541 0.954585 0.759482 F\n0.441541 0.045415 0.240518 F\n0.991614 0.460343 0.786226 F\n0.491614 0.539657 0.213774 F\n0.702519 0.754244 0.972477 F\n0.202519 0.245756 0.027523 F\n0.709507 0.860244 0.476530 F\n0.209507 0.139756 0.523470 F\n0.506377 0.381343 0.780010 F\n0.006377 0.618657 0.219990 F\n",
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],
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"volume": 275.73166056105885,
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"formula_full": "Tm2 Zr2 F14",
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"energy": -129.12938552,
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"spacegroup": 4
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{
"id": "mp-1079861",
"created_at": "2022-09-04T14:42:16.529219Z",
"structure_string": "Tm2 Co2 Ge4\n1.0\n2.028735 -8.147015 0.000000\n2.028735 8.147015 0.000000\n0.000000 0.000000 4.241404\nTm Co Ge\n2 2 4\ndirect\n0.891712 0.108288 0.250000 Tm\n0.108288 0.891712 0.750000 Tm\n0.680662 0.319338 0.250000 Co\n0.319338 0.680662 0.750000 Co\n0.542324 0.457676 0.250000 Ge\n0.457676 0.542324 0.750000 Ge\n0.255505 0.744495 0.250000 Ge\n0.744495 0.255505 0.750000 Ge\n",
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"density": 8.838855701212921,
"density_atomic": 0.057059309533107914,
"volume": 140.2049913583007,
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"formula_full": "Tm2 Co2 Ge4",
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{
"id": "mp-1068387",
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"structure_string": "La1 Ge3 Ru1\n1.0\n-2.227025 2.227025 5.099193\n2.227025 -2.227025 5.099193\n2.227025 2.227025 -5.099193\nLa Ge Ru\n1 3 1\ndirect\n0.999927 0.999927 0.000000 La\n0.423567 0.423567 0.000000 Ge\n0.259737 0.759737 0.500000 Ge\n0.759737 0.259737 0.500000 Ge\n0.658032 0.658032 0.000000 Ru\n",
"nsites": 5,
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],
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{
"id": "mp-1176977",
"created_at": "2022-09-04T14:42:16.637221Z",
"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n8.719871 0.000000 0.000000\n0.032099 8.739723 0.000000\n0.242231 0.084508 12.232975\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.074476 0.082020 0.302683 Li\n0.083091 0.697428 0.237822 Li\n0.208628 0.780099 0.826424 Li\n0.290208 0.281318 0.675914 Li\n0.416210 0.197255 0.261537 Li\n0.426050 0.583842 0.196241 Li\n0.575123 0.420714 0.801983 Li\n0.584254 0.801324 0.739060 Li\n0.707056 0.716661 0.325851 Li\n0.792682 0.218094 0.174239 Li\n0.918860 0.303832 0.763432 Li\n0.925664 0.917031 0.698248 Li\n0.247222 0.461457 0.892232 Mn\n0.754463 0.466306 0.605887 Mn\n0.247909 0.530208 0.390916 V\n0.252670 0.030324 0.108459 V\n0.252053 0.960033 0.610628 V\n0.746657 0.038109 0.389576 V\n0.752855 0.538726 0.109703 V\n0.746995 0.970395 0.890777 V\n0.036201 0.247750 0.506684 P\n0.103883 0.383480 0.147440 P\n0.104782 0.101940 0.849338 P\n0.396023 0.602895 0.649092 P\n0.395974 0.883116 0.352147 P\n0.464158 0.752027 0.993356 P\n0.536414 0.253658 0.007834 P\n0.603103 0.117455 0.647338 P\n0.604108 0.395776 0.348355 P\n0.894480 0.895008 0.149089 P\n0.897146 0.615894 0.854485 P\n0.962512 0.750507 0.493287 P\n0.047529 0.866252 0.565545 O\n0.073359 0.885313 0.147753 O\n0.068793 0.681198 0.403351 O\n0.072423 0.595688 0.832245 O\n0.106824 0.366315 0.427993 O\n0.143374 0.215340 0.181896 O\n0.139024 0.408540 0.025186 O\n0.144012 0.977064 0.760583 O\n0.156550 0.260911 0.807809 O\n0.169183 0.167956 0.567819 O\n0.173136 0.050591 0.956327 O\n0.195081 0.501167 0.216845 O\n0.304300 0.000973 0.281580 O\n0.328964 0.551501 0.542571 O\n0.331406 0.678625 0.932650 O\n0.340816 0.764608 0.686369 O\n0.352443 0.911536 0.472236 O\n0.357536 0.715135 0.318812 O\n0.354803 0.481132 0.740078 O\n0.397586 0.869840 0.074731 O\n0.430309 0.183850 0.097547 O\n0.425140 0.384893 0.350377 O\n0.429039 0.095496 0.668258 O\n0.451090 0.369766 0.933781 O\n0.548778 0.633987 0.065117 O\n0.570123 0.903732 0.331714 O\n0.575460 0.614042 0.648001 O\n0.572745 0.821962 0.903782 O\n0.607655 0.136013 0.929170 O\n0.641738 0.517461 0.256706 O\n0.641450 0.286343 0.680326 O\n0.646336 0.089472 0.527564 O\n0.659054 0.233948 0.311139 O\n0.669936 0.332675 0.067713 O\n0.672904 0.451506 0.452301 O\n0.694395 0.999840 0.718440 O\n0.804917 0.497210 0.788936 O\n0.826289 0.949227 0.043045 O\n0.829336 0.829911 0.432696 O\n0.840100 0.733526 0.187710 O\n0.854873 0.016689 0.239517 O\n0.858274 0.592531 0.976025 O\n0.858307 0.783911 0.819173 O\n0.895839 0.632402 0.575824 O\n0.929539 0.404242 0.169152 O\n0.930524 0.317321 0.597893 O\n0.925573 0.110489 0.851373 O\n0.951232 0.133187 0.434287 O\n",
"nsites": 80,
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"elements": [
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],
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"formula_full": "Li12 Mn2 V6 P12 O48",
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{
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{
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