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{
"id": "mp-756227",
"created_at": "2022-09-04T14:40:14.930825Z",
"structure_string": "Li2 V4 F14\n1.0\n2.482191 8.813070 0.000000\n-2.482191 8.813070 0.000000\n0.000000 0.288594 5.629419\nLi V F\n2 4 14\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.147904 0.639207 0.779829 V\n0.639207 0.147904 0.279829 V\n0.360793 0.852096 0.720171 V\n0.852096 0.360793 0.220171 V\n0.374930 0.474494 0.069545 F\n0.474494 0.374930 0.569545 F\n0.807496 0.912441 0.985910 F\n0.912441 0.807496 0.485910 F\n0.390149 0.196498 0.293028 F\n0.196498 0.390149 0.793028 F\n0.803502 0.609851 0.206972 F\n0.609851 0.803502 0.706972 F\n0.087559 0.192504 0.514090 F\n0.192504 0.087559 0.014090 F\n0.525506 0.625070 0.430455 F\n0.625070 0.525506 0.930455 F\n0.112711 0.887289 0.750000 F\n0.887289 0.112711 0.250000 F\n",
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{
"id": "mp-1245099",
"created_at": "2022-09-04T14:40:21.802952Z",
"structure_string": "Co30 O60\n1.0\n10.737883 0.021944 -0.345025\n0.005129 10.279847 0.457334\n-0.333435 0.469602 10.437931\nCo O\n30 60\ndirect\n0.748479 0.374025 0.954681 Co\n0.540507 0.079983 0.483097 Co\n0.174592 0.509737 0.201363 Co\n0.234804 0.753743 0.003339 Co\n0.619471 0.371120 0.498934 Co\n0.276514 0.255847 0.394501 Co\n0.757337 0.573543 0.746756 Co\n0.923930 0.007688 0.565638 Co\n-0.004567 0.271484 0.180521 Co\n0.983510 0.554462 0.987835 Co\n0.246153 0.256813 0.728306 Co\n0.625859 0.622171 0.335036 Co\n0.914787 0.012013 0.079617 Co\n0.174946 0.229973 0.012033 Co\n0.232380 0.044202 0.571791 Co\n0.082791 0.824926 0.424709 Co\n0.469158 0.501847 0.663758 Co\n0.558398 0.784261 0.068390 Co\n0.470990 0.269000 0.882676 Co\n0.995240 0.334611 0.806496 Co\n0.356741 0.974327 0.891739 Co\n0.624362 0.124859 0.025214 Co\n0.761623 0.852876 0.917823 Co\n0.117834 0.582163 0.752200 Co\n0.693134 0.893495 0.266853 Co\n0.838897 0.618572 0.204572 Co\n0.831154 0.336715 0.381739 Co\n0.041986 0.000012 0.824732 Co\n0.490576 0.200191 0.229284 Co\n0.740939 0.182649 0.715862 Co\n0.198432 0.908252 0.898014 O\n0.391086 0.840759 0.023548 O\n0.879987 0.076653 0.709172 O\n0.824528 0.227151 0.214645 O\n0.782353 0.306233 0.547787 O\n0.765540 0.939612 0.530453 O\n0.518955 0.264126 0.054844 O\n0.080477 0.989508 0.653358 O\n0.642811 0.492642 0.623851 O\n0.091568 0.181542 0.842259 O\n0.731545 0.255478 0.118161 O\n0.379366 0.662850 0.822250 O\n0.192217 0.224374 0.546916 O\n0.547595 0.773338 0.251546 O\n0.597494 0.155327 0.630420 O\n0.650374 0.248635 0.869028 O\n0.365257 0.111285 0.469185 O\n0.503827 0.498113 0.405493 O\n0.223519 0.655101 0.606086 O\n0.126944 0.399901 0.719669 O\n0.579793 0.250202 0.375363 O\n0.792111 0.733416 0.821457 O\n0.751026 0.017534 0.984211 O\n0.224506 0.903109 0.495355 O\n0.098555 0.385818 0.079976 O\n0.106135 0.656499 0.921581 O\n0.118156 0.849198 0.149850 O\n0.304863 0.274395 0.920883 O\n0.216103 0.416916 0.348390 O\n0.762990 0.719180 0.339579 O\n0.052388 0.129267 0.102416 O\n0.989288 0.713692 0.368943 O\n0.473846 0.667854 0.739218 O\n0.418389 0.337046 0.714341 O\n0.005243 0.609769 0.154802 O\n0.585588 0.046494 0.180809 O\n0.568060 0.799044 0.551332 O\n0.853702 0.947130 0.222938 O\n0.278188 0.621202 0.121738 O\n0.424202 0.552277 0.489374 O\n0.489991 0.888800 0.525918 O\n0.857560 0.658887 0.599491 O\n0.177205 0.853960 0.256946 O\n0.843723 0.486629 0.050869 O\n0.193208 0.664157 0.484968 O\n0.591317 0.837703 0.907650 O\n0.726474 0.745212 0.090752 O\n0.309853 0.079487 0.740048 O\n0.655761 0.500318 0.881949 O\n0.314378 0.550244 0.816978 O\n0.941593 0.910237 0.934926 O\n0.962149 0.707635 0.633280 O\n0.326482 0.233089 0.232005 O\n0.737649 0.489612 0.297527 O\n0.492677 0.075907 0.911475 O\n0.698682 -0.001391 0.422428 O\n0.986750 0.329190 0.339018 O\n0.874733 0.271115 0.902576 O\n0.987732 0.978722 0.423150 O\n0.941149 0.505624 0.817185 O\n",
"nsites": 90,
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"elements": [
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"density": 3.9435411419353223,
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"volume": 1148.6843271066273,
"volume_molar": 7.686154118491104,
"formula_full": "Co30 O60",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy": -541.50913902,
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"spacegroup": 1
},
{
"id": "mp-1246567",
"created_at": "2022-09-04T14:40:18.674368Z",
"structure_string": "In2 Ga4 N6\n1.0\n5.777147 0.001644 0.000000\n-2.885892 4.999963 0.000000\n0.000000 0.000000 5.390303\nIn Ga N\n2 4 6\ndirect\n0.000000 0.674735 0.489696 In\n0.000000 0.325265 0.989696 In\n0.340940 0.333852 0.492575 Ga\n0.659060 0.992912 0.492575 Ga\n0.659060 0.666148 0.992575 Ga\n0.340940 0.007088 0.992575 Ga\n0.360504 0.333679 0.858883 N\n0.639496 0.973174 0.858883 N\n0.639496 0.666321 0.358883 N\n0.360504 0.026826 0.358883 N\n0.000000 0.692555 0.895389 N\n0.000000 0.307445 0.395389 N\n",
"nsites": 12,
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"elements": [
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"N"
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"density": 6.318627091199959,
"density_atomic": 0.0770577869679244,
"volume": 155.72728561482108,
"volume_molar": 7.815096951209799,
"formula_full": "In2 Ga4 N6",
"formula_reduced": "InGa2N3",
"formula_anonymous": "AB2C3",
"energy": -73.04373452,
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"updated_at": "2021-11-28T01:34:50.972000Z",
"spacegroup": 36
},
{
"id": "mp-510462",
"created_at": "2022-09-04T14:40:14.959862Z",
"structure_string": "Cs2 Dy2 Zn2 Te6\n1.0\n2.215352 -8.689916 0.000000\n2.215352 8.689916 0.000000\n0.000000 0.000000 11.747494\nCs Dy Zn Te\n2 2 2 6\ndirect\n0.253815 0.746185 0.750000 Cs\n0.746185 0.253815 0.250000 Cs\n0.000000 0.000000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.537977 0.462023 0.750000 Zn\n0.462023 0.537977 0.250000 Zn\n0.618742 0.381258 0.942279 Te\n0.381258 0.618742 0.057721 Te\n0.381258 0.618742 0.442279 Te\n0.618742 0.381258 0.557721 Te\n0.941899 0.058101 0.750000 Te\n0.058101 0.941899 0.250000 Te\n",
"nsites": 12,
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"Dy",
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"Te"
],
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"density": 5.460009107124797,
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"volume": 452.3072484465264,
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"formula_full": "Cs2 Dy2 Zn2 Te6",
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"formula_anonymous": "ABCD3",
"energy": -48.04584143,
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{
"id": "mp-1210788",
"created_at": "2022-09-04T14:40:17.405479Z",
"structure_string": "Mn8 Tl8 S12 O48\n1.0\n10.382589 0.000000 0.000000\n0.000000 10.382589 0.000000\n0.000000 0.000000 10.382589\nMn Tl S O\n8 8 12 48\ndirect\n0.334945 0.334945 0.334945 Mn\n0.165055 0.665055 0.834945 Mn\n0.665055 0.834945 0.165055 Mn\n0.834945 0.165055 0.665055 Mn\n0.598327 0.598327 0.598327 Mn\n0.901673 0.401673 0.098327 Mn\n0.401673 0.098327 0.901673 Mn\n0.098327 0.901673 0.401673 Mn\n0.048276 0.048276 0.048276 Tl\n0.451724 0.951724 0.548276 Tl\n0.951724 0.548276 0.451724 Tl\n0.548276 0.451724 0.951724 Tl\n0.817035 0.817035 0.817035 Tl\n0.682965 0.182965 0.317035 Tl\n0.182965 0.317035 0.682965 Tl\n0.317035 0.682965 0.182965 Tl\n0.017898 0.216299 0.375882 S\n0.482102 0.783701 0.875882 S\n0.982102 0.716299 0.124118 S\n0.375882 0.017898 0.216299 S\n0.517898 0.283701 0.624118 S\n0.875882 0.482102 0.783701 S\n0.124118 0.982102 0.716299 S\n0.624118 0.517898 0.283701 S\n0.216299 0.375882 0.017898 S\n0.716299 0.124118 0.982102 S\n0.283701 0.624118 0.517898 S\n0.783701 0.875882 0.482102 S\n0.008898 0.080030 0.329918 O\n0.491102 0.919970 0.829918 O\n0.991102 0.580030 0.170082 O\n0.329918 0.008898 0.080030 O\n0.508898 0.419970 0.670082 O\n0.829918 0.491102 0.919970 O\n0.170082 0.991102 0.580030 O\n0.670082 0.508898 0.419970 O\n0.080030 0.329918 0.008898 O\n0.580030 0.170082 0.991102 O\n0.419970 0.670082 0.508898 O\n0.919970 0.829918 0.491102 O\n0.265850 0.502841 0.442944 O\n0.234150 0.497159 0.942944 O\n0.734150 0.002841 0.057056 O\n0.442944 0.265850 0.502841 O\n0.765850 0.997159 0.557056 O\n0.942944 0.234150 0.497159 O\n0.057056 0.734150 0.002841 O\n0.557056 0.765850 0.997159 O\n0.502841 0.442944 0.265850 O\n0.002841 0.057056 0.734150 O\n0.997159 0.557056 0.765850 O\n0.497159 0.942944 0.234150 O\n0.039983 0.801774 0.223536 O\n0.460017 0.198226 0.723536 O\n0.960017 0.301774 0.276464 O\n0.223536 0.039983 0.801774 O\n0.539983 0.698226 0.776464 O\n0.723536 0.460017 0.198226 O\n0.276464 0.960017 0.301774 O\n0.776464 0.539983 0.698226 O\n0.801774 0.223536 0.039983 O\n0.301774 0.276464 0.960017 O\n0.698226 0.776464 0.539983 O\n0.198226 0.723536 0.460017 O\n0.154060 0.251752 0.401713 O\n0.345940 0.748248 0.901713 O\n0.845940 0.751752 0.098287 O\n0.401713 0.154060 0.251752 O\n0.654060 0.248248 0.598287 O\n0.901713 0.345940 0.748248 O\n0.098287 0.845940 0.751752 O\n0.598287 0.654060 0.248248 O\n0.251752 0.401713 0.154060 O\n0.751752 0.098287 0.845940 O\n0.248248 0.598287 0.654060 O\n0.748248 0.901713 0.345940 O\n",
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"formula_full": "Mn8 Tl8 S12 O48",
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"spacegroup": 198
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{
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