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{
"id": "mp-775644",
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"structure_string": "V12 Cu4 O32\n1.0\n8.273762 0.000000 0.000000\n0.000000 8.273762 0.000000\n0.000000 0.000000 8.273762\nV Cu O\n12 4 32\ndirect\n0.109987 0.624427 0.132504 V\n0.124427 0.367496 0.890013 V\n0.132504 0.109987 0.624427 V\n0.367496 0.890013 0.124427 V\n0.375573 0.632504 0.390013 V\n0.390013 0.375573 0.632504 V\n0.609987 0.875573 0.867496 V\n0.624427 0.132504 0.109987 V\n0.632504 0.390013 0.375573 V\n0.867496 0.609987 0.875573 V\n0.875573 0.867496 0.609987 V\n0.890013 0.124427 0.367496 V\n0.001800 0.498200 0.501800 Cu\n0.498200 0.501800 0.001800 Cu\n0.501800 0.001800 0.498200 Cu\n0.998200 0.998200 0.998200 Cu\n0.100764 0.131821 0.392797 O\n0.107203 0.899236 0.631821 O\n0.109144 0.609144 0.890856 O\n0.131821 0.392797 0.100764 O\n0.115999 0.147918 0.856913 O\n0.138308 0.361692 0.638308 O\n0.143087 0.615999 0.352082 O\n0.147918 0.856913 0.115999 O\n0.352082 0.143087 0.615999 O\n0.356913 0.384001 0.852082 O\n0.361692 0.638308 0.138308 O\n0.384001 0.852082 0.356913 O\n0.368179 0.607203 0.600764 O\n0.390856 0.390856 0.390856 O\n0.392797 0.100764 0.131821 O\n0.399236 0.868179 0.892797 O\n0.600764 0.368179 0.607203 O\n0.607203 0.600764 0.368179 O\n0.609144 0.890856 0.109144 O\n0.631821 0.107203 0.899236 O\n0.615999 0.352082 0.143087 O\n0.638308 0.138308 0.361692 O\n0.643087 0.884001 0.647918 O\n0.647918 0.643087 0.884001 O\n0.852082 0.356913 0.384001 O\n0.856913 0.115999 0.147918 O\n0.861692 0.861692 0.861692 O\n0.884001 0.647918 0.643087 O\n0.868179 0.892797 0.399236 O\n0.890856 0.109144 0.609144 O\n0.892797 0.399236 0.868179 O\n0.899236 0.631821 0.107203 O\n",
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{
"id": "mp-625385",
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"structure_string": "H4 N4 O4\n1.0\n2.738921 3.895911 0.000000\n-2.738921 3.895911 0.000000\n0.000000 3.187302 5.788168\nH N O\n4 4 4\ndirect\n0.241654 0.218990 0.966051 H\n0.218990 0.241654 0.466051 H\n0.701265 0.827866 0.995718 H\n0.827866 0.701265 0.495718 H\n0.598582 0.393412 0.744654 N\n0.393412 0.598582 0.244654 N\n0.800369 0.163704 0.757595 N\n0.163704 0.800369 0.257595 N\n0.274255 0.432787 0.868994 O\n0.432787 0.274255 0.368994 O\n0.701739 0.608638 0.106269 O\n0.608638 0.701739 0.606269 O\n",
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"volume": 123.52636354377474,
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"formula_full": "H4 N4 O4",
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"spacegroup": 9
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{
"id": "mp-69",
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"structure_string": "Sm4\n1.0\n1.825077 -3.161126 0.000000\n1.825077 3.161126 0.000000\n0.000000 0.000000 11.746542\nSm\n4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.333333 0.666667 0.250000 Sm\n0.666667 0.333333 0.750000 Sm\n",
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"formula_full": "Sm4",
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{
"id": "mp-1221677",
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"structure_string": "Mn1 H6 N2 Cl2\n1.0\n4.153623 4.136703 0.000000\n-4.153623 4.136703 0.000000\n0.000000 0.124140 3.827098\nMn H N Cl\n1 6 2 2\ndirect\n0.000836 0.999164 0.000000 Mn\n0.600532 0.796960 0.202071 H\n0.203040 0.399468 0.797929 H\n0.645282 0.714227 0.802899 H\n0.414778 0.224727 0.873964 H\n0.285773 0.354718 0.197101 H\n0.775273 0.585222 0.126036 H\n0.257300 0.273938 0.967415 N\n0.726062 0.742700 0.032585 N\n0.216989 0.783011 0.500000 Cl\n0.784135 0.215865 0.500000 Cl\n",
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"elements": [
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],
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"density": 2.0189723728177196,
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"volume": 131.5167280966388,
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"formula_full": "Mn1 H6 N2 Cl2",
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{
"id": "mp-1214038",
"created_at": "2022-09-04T14:48:05.049394Z",
"structure_string": "Ca3 Nb1 Ga3 Si2 O14\n1.0\n0.000000 0.000000 -5.037605\n-4.102198 -7.105214 0.000000\n-4.102198 7.105214 0.000000\nCa Nb Ga Si O\n3 1 3 2 14\ndirect\n0.000000 0.426064 0.426064 Ca\n0.000000 0.000000 0.573936 Ca\n0.000000 0.573936 0.000000 Ca\n0.000000 0.000000 0.000000 Nb\n0.500000 0.746283 0.746283 Ga\n0.500000 0.000000 0.253717 Ga\n0.500000 0.253717 0.000000 Ga\n0.456572 0.666667 0.333333 Si\n0.543428 0.333333 0.666667 Si\n0.776511 0.666667 0.333333 O\n0.223489 0.333333 0.666667 O\n0.763091 0.857112 0.083022 O\n0.763091 0.225911 0.142888 O\n0.236909 0.774089 0.916978 O\n0.763091 0.916978 0.774089 O\n0.236909 0.083022 0.857112 O\n0.236909 0.142888 0.225911 O\n0.684730 0.522416 0.677943 O\n0.684730 0.155527 0.477584 O\n0.315270 0.844473 0.322057 O\n0.684730 0.322057 0.844473 O\n0.315270 0.677943 0.522416 O\n0.315270 0.477584 0.155527 O\n",
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"formula_full": "Ca3 Nb1 Ga3 Si2 O14",
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{
"id": "mp-555863",
"created_at": "2022-09-04T14:48:05.065873Z",
"structure_string": "P4 Pt1 F12\n1.0\n-4.217740 4.217740 4.217740\n4.217740 -4.217740 4.217740\n4.217740 4.217740 -4.217740\nP Pt F\n4 1 12\ndirect\n0.691087 0.691087 0.691087 P\n0.000000 0.308913 0.000000 P\n0.308913 0.000000 0.000000 P\n0.000000 0.000000 0.308913 P\n0.000000 0.000000 0.000000 Pt\n0.799928 0.799928 0.281909 F\n0.518018 0.718091 0.518018 F\n0.000000 0.481982 0.200072 F\n0.200072 0.000000 0.481982 F\n0.481982 0.000000 0.200072 F\n0.518018 0.518018 0.718091 F\n0.799928 0.281909 0.799928 F\n0.481982 0.200072 0.000000 F\n0.200072 0.481982 0.000000 F\n0.000000 0.200072 0.481982 F\n0.718091 0.518018 0.518018 F\n0.281909 0.799928 0.799928 F\n",
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"elements": [
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"formula_full": "P4 Pt1 F12",
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{
"id": "mp-766708",
"created_at": "2022-09-04T14:48:05.073733Z",
"structure_string": "Li12 Mn4 P4 C4 O28\n1.0\n4.972629 0.000000 0.000000\n-0.679237 8.554843 0.000000\n-0.018324 -0.129726 13.189637\nLi Mn P C O\n12 4 4 4 28\ndirect\n0.236284 0.093926 0.127994 Li\n0.235642 0.097791 0.628178 Li\n0.754291 0.274358 0.519386 Li\n0.752461 0.273023 0.243559 Li\n0.765125 0.279189 0.736371 Li\n0.222917 0.352324 0.865242 Li\n0.243645 0.719539 0.977438 Li\n0.245328 0.724392 0.267777 Li\n0.247947 0.727364 0.489268 Li\n0.245637 0.720527 0.766012 Li\n0.763045 0.905403 0.378104 Li\n0.765031 0.901159 0.869963 Li\n0.747716 0.258606 0.993514 Mn\n0.223981 0.340627 0.376695 Mn\n0.779202 0.658714 0.124548 Mn\n0.776706 0.658489 0.625362 Mn\n0.275788 0.408526 0.123666 P\n0.276140 0.408845 0.627811 P\n0.722699 0.590300 0.373887 P\n0.718233 0.589599 0.875191 P\n0.297011 0.033337 0.373538 C\n0.292199 0.037906 0.880354 C\n0.703314 0.966813 0.624660 C\n0.702893 0.965639 0.125444 C\n0.043958 0.069987 0.881250 O\n0.049778 0.068057 0.373449 O\n0.640892 0.112504 0.123167 O\n0.640281 0.111000 0.625490 O\n0.490370 0.145508 0.372546 O\n0.485910 0.150243 0.882582 O\n0.165286 0.310048 0.534378 O\n0.172734 0.311134 0.029652 O\n0.169601 0.310447 0.216079 O\n0.173432 0.312978 0.719774 O\n0.812161 0.421491 0.373069 O\n0.821836 0.423794 0.873065 O\n0.593072 0.423096 0.624999 O\n0.594214 0.419653 0.123018 O\n0.406904 0.577361 0.373661 O\n0.406213 0.575151 0.875860 O\n0.190376 0.578009 0.125978 O\n0.187424 0.578900 0.625976 O\n0.832370 0.689471 0.466351 O\n0.831107 0.688950 0.282160 O\n0.828832 0.689996 0.783997 O\n0.830272 0.689590 0.967948 O\n0.508497 0.856227 0.127574 O\n0.511045 0.853549 0.623734 O\n0.359729 0.888257 0.374706 O\n0.358668 0.893365 0.875162 O\n0.950080 0.932701 0.125377 O\n0.951721 0.932140 0.625033 O\n",
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"formula_full": "Li12 Mn4 P4 C4 O28",
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{
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"structure_string": "Li4 Ni2 O4\n1.0\n3.127651 0.000000 0.000000\n-1.563825 2.708625 0.000000\n0.000000 0.000000 10.172747\nLi Ni O\n4 2 4\ndirect\n0.666665 0.333332 0.179156 Li\n0.333334 0.666667 0.820844 Li\n0.333334 0.666667 0.320845 Li\n0.666665 0.333332 0.679156 Li\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333334 0.666667 0.616969 O\n0.666665 0.333332 0.883031 O\n0.333334 0.666667 0.116969 O\n0.666665 0.333332 0.383031 O\n",
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{
"id": "mp-1214501",
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"structure_string": "Ba8 Ho2 Cu6 O18\n1.0\n8.144176 0.000000 0.000000\n0.000000 8.144176 0.000000\n0.000000 0.000000 8.144176\nBa Ho Cu O\n8 2 6 18\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.750000 0.750000 0.250000 Ba\n0.750000 0.250000 0.750000 Ba\n0.250000 0.250000 0.750000 Ba\n0.250000 0.750000 0.250000 Ba\n0.250000 0.750000 0.750000 Ba\n0.750000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.272219 0.000000 0.000000 O\n0.727781 0.000000 0.000000 O\n0.000000 0.272219 0.000000 O\n0.500000 0.772219 0.500000 O\n0.000000 0.727781 0.000000 O\n0.500000 0.227781 0.500000 O\n0.000000 0.000000 0.272219 O\n0.772219 0.500000 0.500000 O\n0.000000 0.000000 0.727781 O\n0.227781 0.500000 0.500000 O\n0.500000 0.500000 0.772219 O\n0.500000 0.500000 0.227781 O\n0.250000 0.000000 0.500000 O\n0.750000 0.000000 0.500000 O\n0.500000 0.250000 0.000000 O\n0.500000 0.750000 0.000000 O\n0.000000 0.500000 0.250000 O\n0.000000 0.500000 0.750000 O\n",
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{
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},
{
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{
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}
]
}