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{
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{
"id": "mp-559288",
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"structure_string": "Gd2 P6 O18\n1.0\n4.271981 -5.583174 0.000000\n4.271981 5.583174 0.000000\n0.000000 0.000000 7.286275\nGd P O\n2 6 18\ndirect\n0.125921 0.125921 0.500000 Gd\n0.874079 0.874079 0.000000 Gd\n0.250430 0.250430 0.000000 P\n0.311671 0.665344 0.456318 P\n0.688329 0.334656 0.956318 P\n0.665344 0.311671 0.543682 P\n0.334656 0.688329 0.043682 P\n0.749570 0.749570 0.500000 P\n0.372790 0.627210 0.250000 O\n0.528133 0.747831 0.546658 O\n0.468852 0.214542 0.462083 O\n0.627210 0.372790 0.750000 O\n0.827151 0.211185 0.533371 O\n0.867670 0.828058 0.670667 O\n0.471867 0.252169 0.046658 O\n0.747831 0.528133 0.453342 O\n0.785458 0.531148 0.037917 O\n0.132330 0.171942 0.170667 O\n0.214542 0.468852 0.537917 O\n0.172849 0.788815 0.033371 O\n0.252169 0.471867 0.953342 O\n0.788815 0.172849 0.966629 O\n0.171942 0.132330 0.829333 O\n0.531148 0.785458 0.962083 O\n0.211185 0.827151 0.466629 O\n0.828058 0.867670 0.329333 O\n",
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{
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"structure_string": "Ca2 Pd4\n1.0\n0.000000 3.877233 3.877233\n3.877233 0.000000 3.877233\n3.877233 3.877233 0.000000\nCa Pd\n2 4\ndirect\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n0.125000 0.625000 0.125000 Pd\n0.125000 0.125000 0.625000 Pd\n0.625000 0.125000 0.125000 Pd\n0.125000 0.125000 0.125000 Pd\n",
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"updated_at": "2021-11-28T01:37:39.311000Z",
"spacegroup": 227
},
{
"id": "mp-9439",
"created_at": "2022-09-04T14:46:35.479556Z",
"structure_string": "Yb2 Cu2 Sb2\n1.0\n2.227044 -3.857354 0.000000\n2.227044 3.857354 0.000000\n0.000000 0.000000 7.984048\nYb Cu Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.250000 Cu\n0.333333 0.666667 0.750000 Cu\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
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},
{
"id": "mp-554824",
"created_at": "2022-09-04T14:46:35.500650Z",
"structure_string": "La12 Ru4 O28\n1.0\n5.767937 0.000000 0.000000\n0.000000 8.911985 0.000000\n0.000000 3.156439 12.231917\nLa Ru O\n12 4 28\ndirect\n0.981964 0.296206 0.572670 La\n0.513697 0.569957 0.631681 La\n0.013697 0.430043 0.868319 La\n0.018036 0.703794 0.427330 La\n0.518036 0.296206 0.072670 La\n0.989025 0.000808 0.858633 La\n0.489025 0.999192 0.641367 La\n0.986303 0.569957 0.131681 La\n0.481964 0.703794 0.927330 La\n0.510975 0.000808 0.358633 La\n0.486303 0.430043 0.368319 La\n0.010975 0.999192 0.141367 La\n0.454824 0.215108 0.831700 Ru\n0.545176 0.784892 0.168300 Ru\n0.045176 0.215108 0.331700 Ru\n0.954824 0.784892 0.668300 Ru\n0.237612 0.171837 0.966947 O\n0.741343 0.191112 0.922869 O\n0.148436 0.239219 0.753383 O\n0.947665 0.563770 0.676943 O\n0.568830 0.008692 0.169488 O\n0.383439 0.748852 0.308248 O\n0.616561 0.251148 0.691752 O\n0.883439 0.251148 0.191752 O\n0.052335 0.436230 0.323057 O\n0.241343 0.808888 0.577131 O\n0.851564 0.760781 0.246617 O\n0.931170 0.008692 0.669488 O\n0.351564 0.239219 0.253383 O\n0.431170 0.991308 0.830512 O\n0.758657 0.191112 0.422869 O\n0.762388 0.828163 0.033053 O\n0.737612 0.828163 0.533053 O\n0.240509 0.493103 0.011275 O\n0.740509 0.506897 0.488725 O\n0.552335 0.563770 0.176943 O\n0.068830 0.991308 0.330512 O\n0.262388 0.171837 0.466947 O\n0.116561 0.748852 0.808248 O\n0.759491 0.506897 0.988725 O\n0.447665 0.436230 0.823057 O\n0.258657 0.808888 0.077131 O\n0.648436 0.760781 0.746617 O\n0.259491 0.493103 0.511275 O\n",
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"Ru",
"O"
],
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"density": 6.652884700236724,
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"volume": 628.766623968381,
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"formula_full": "La12 Ru4 O28",
"formula_reduced": "La3RuO7",
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"spacegroup": 14
},
{
"id": "mp-19279",
"created_at": "2022-09-04T14:46:35.620586Z",
"structure_string": "Li2 Mn1 O2\n1.0\n3.226028 0.000000 0.000000\n-1.613014 2.793822 0.000000\n0.000000 0.000000 5.334026\nLi Mn O\n2 1 2\ndirect\n0.666666 0.333335 0.368285 Li\n0.333333 0.666666 0.631717 Li\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666666 0.246202 O\n0.666666 0.333335 0.753798 O\n",
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"elements": [
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"density": 3.482321158303049,
"density_atomic": 0.10400351340106279,
"volume": 48.07529896339931,
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"formula_full": "Li2 Mn1 O2",
"formula_reduced": "Li2MnO2",
"formula_anonymous": "AB2C2",
"energy": -32.98627288,
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"spacegroup": 164
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{
"id": "mp-1199284",
"created_at": "2022-09-04T14:46:35.766721Z",
"structure_string": "Gd16 Ga4 Sb4 S36\n1.0\n0.000000 -6.993323 -7.101640\n0.000000 -6.993323 7.101640\n-13.643585 0.000000 0.000000\nGd Ga Sb S\n16 4 4 36\ndirect\n0.127621 0.090954 0.814101 Gd\n0.909046 0.872379 0.185899 Gd\n0.627621 0.590954 0.685899 Gd\n0.409046 0.372379 0.314101 Gd\n0.335962 0.320426 0.600967 Gd\n0.679574 0.664038 0.399033 Gd\n0.835962 0.820426 0.899033 Gd\n0.179574 0.164038 0.100967 Gd\n0.625496 0.043008 0.681612 Gd\n0.956992 0.374504 0.318388 Gd\n0.125496 0.543008 0.818388 Gd\n0.456992 0.874504 0.181612 Gd\n0.449671 0.327477 0.896180 Gd\n0.672523 0.550329 0.103820 Gd\n0.949671 0.827477 0.603820 Gd\n0.172523 0.050329 0.396180 Gd\n0.385995 0.824132 0.907812 Ga\n0.175868 0.614005 0.092188 Ga\n0.885995 0.324132 0.592188 Ga\n0.675868 0.114005 0.407812 Ga\n0.328704 0.831737 0.612988 Sb\n0.168263 0.671296 0.387012 Sb\n0.828704 0.331737 0.887012 Sb\n0.668263 0.171296 0.112988 Sb\n0.164426 0.015369 0.599411 S\n0.984631 0.835574 0.400589 S\n0.664426 0.515369 0.900589 S\n0.484631 0.335574 0.099411 S\n0.664952 0.146493 0.918727 S\n0.853507 0.335048 0.081273 S\n0.164952 0.646493 0.581273 S\n0.353507 0.835048 0.418727 S\n0.204830 0.817974 0.802218 S\n0.182026 0.795170 0.197782 S\n0.704830 0.317974 0.697782 S\n0.682026 0.295170 0.302218 S\n0.574740 0.821505 0.809628 S\n0.178495 0.425260 0.190372 S\n0.074740 0.321505 0.690372 S\n0.678495 0.925260 0.309628 S\n0.871964 0.128036 0.500000 S\n0.371964 0.628036 -0.000000 S\n0.491223 0.118638 0.507752 S\n0.881362 0.508777 0.492248 S\n0.991223 0.618638 0.992248 S\n0.381362 0.008777 0.007752 S\n0.680278 0.813720 0.567851 S\n0.186280 0.319722 0.432149 S\n0.180278 0.313720 0.932149 S\n0.686280 0.819722 0.067851 S\n0.881376 0.003933 0.750985 S\n0.996067 0.118624 0.249015 S\n0.381376 0.503933 0.749015 S\n0.496067 0.618624 0.250985 S\n0.500158 0.499842 0.500000 S\n0.000158 0.999842 -0.000000 S\n0.390245 0.141455 0.754120 S\n0.858545 0.609755 0.245880 S\n0.890245 0.641455 0.745880 S\n0.358545 0.109755 0.254120 S\n",
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{
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"structure_string": "V4 Cu4 O14\n1.0\n0.000000 4.460800 10.368300\n3.217309 0.000000 10.368300\n3.217309 4.460800 0.000000\nV Cu O\n4 4 14\ndirect\n0.187200 0.411921 0.619139 V\n0.781741 0.619139 0.411921 V\n0.630861 0.468259 0.062800 V\n0.838079 0.062800 0.468259 V\n0.713305 0.959492 0.029948 Cu\n0.297255 0.029948 0.959492 Cu\n0.220052 0.952745 0.536695 Cu\n0.290508 0.536695 0.952745 Cu\n0.900391 0.599609 0.599609 O\n0.650391 0.349609 0.349609 O\n0.396662 0.279815 0.301863 O\n0.021660 0.301863 0.279815 O\n0.948137 0.228340 0.853338 O\n0.970185 0.853338 0.228340 O\n0.084899 0.630700 0.800623 O\n0.483777 0.800623 0.630700 O\n0.076082 0.924881 0.524610 O\n0.474427 0.524610 0.924881 O\n0.725390 0.775573 0.173918 O\n0.325119 0.173918 0.775573 O\n0.619300 0.165101 0.766223 O\n0.449377 0.766223 0.165101 O\n",
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{
"id": "mp-1080485",
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"structure_string": "Nd4 Pt4\n1.0\n4.661060 0.000000 0.000000\n0.000000 5.712140 0.000000\n0.000000 0.000000 7.332552\nNd Pt\n4 4\ndirect\n0.250000 0.363206 0.680840 Nd\n0.250000 0.136794 0.180840 Nd\n0.750000 0.636794 0.319160 Nd\n0.750000 0.863206 0.819160 Nd\n0.250000 0.849633 0.545101 Pt\n0.250000 0.650367 0.045101 Pt\n0.750000 0.150367 0.454899 Pt\n0.750000 0.349633 0.954899 Pt\n",
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{
"id": "mp-1199952",
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"structure_string": "Nd12 In2 Fe26\n1.0\n8.094790 0.000000 0.000000\n0.000000 8.094790 0.000000\n-4.047395 -4.047395 11.808100\nNd In Fe\n12 2 26\ndirect\n0.604327 0.604327 0.208654 Nd\n0.104327 0.104327 0.208654 Nd\n0.395673 0.395673 0.791346 Nd\n0.895673 0.895673 0.791346 Nd\n0.978914 0.478914 0.630975 Nd\n0.652060 0.152060 0.630975 Nd\n0.152060 0.978914 0.630975 Nd\n0.478914 0.652060 0.630975 Nd\n0.021086 0.521086 0.369025 Nd\n0.347940 0.847940 0.369025 Nd\n0.847940 0.021086 0.369025 Nd\n0.521086 0.347940 0.369025 Nd\n0.250000 0.250000 0.500000 In\n0.750000 0.750000 0.500000 In\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.710034 0.566505 0.000000 Fe\n0.289966 0.433495 0.000000 Fe\n0.789966 0.066505 0.000000 Fe\n0.210034 0.933495 0.000000 Fe\n0.566505 0.289966 0.000000 Fe\n0.433495 0.710034 0.000000 Fe\n0.066505 0.210034 0.000000 Fe\n0.933495 0.789966 0.000000 Fe\n0.120671 0.620671 0.883185 Fe\n0.762514 0.262514 0.883185 Fe\n0.262514 0.120671 0.883185 Fe\n0.620671 0.762514 0.883185 Fe\n0.879329 0.379329 0.116815 Fe\n0.237486 0.737486 0.116815 Fe\n0.737486 0.879329 0.116815 Fe\n0.379329 0.237486 0.116815 Fe\n0.293714 0.793714 0.813036 Fe\n0.519321 0.019321 0.813036 Fe\n0.019321 0.293714 0.813036 Fe\n0.793714 0.519321 0.813036 Fe\n0.706286 0.206286 0.186964 Fe\n0.480679 0.980679 0.186964 Fe\n0.980679 0.706286 0.186964 Fe\n0.206286 0.480679 0.186964 Fe\n",
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{
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},
{
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},
{
"id": "mp-8609",
"created_at": "2022-09-04T14:46:35.416472Z",
"structure_string": "Li6 U1 O6\n1.0\n3.488299 -4.234237 0.000000\n3.488299 4.234237 0.000000\n-1.651388 0.000000 5.231626\nLi U O\n6 1 6\ndirect\n0.354271 0.645729 0.000000 Li\n0.645729 0.354271 0.000000 Li\n0.000000 0.645729 0.354271 Li\n0.354271 0.000000 0.645729 Li\n0.000000 0.354271 0.645729 Li\n0.645729 0.000000 0.354271 Li\n0.000000 0.000000 0.000000 U\n0.731333 0.100361 0.731333 O\n0.268667 0.899639 0.268667 O\n0.268667 0.268667 0.899639 O\n0.899639 0.268667 0.268667 O\n0.731333 0.731333 0.100361 O\n0.100361 0.731333 0.731333 O\n",
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"volume": 154.5452108531682,
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"formula_full": "Li6 U1 O6",
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"formula_anonymous": "AB6C6",
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"updated_at": "2021-11-28T01:37:41.911000Z",
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}
]
}