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{
"id": "mp-1208085",
"created_at": "2022-09-04T14:48:31.214812Z",
"structure_string": "V2 Co4 P4 H6 N2 O18\n1.0\n6.238173 0.000000 0.000000\n0.000000 7.736010 0.000000\n0.000000 0.000000 9.849621\nV Co P H N O\n2 4 4 6 2 18\ndirect\n0.000000 0.204881 0.438443 V\n0.000000 0.795119 0.938443 V\n0.243888 0.501150 0.172594 Co\n0.756112 0.498850 0.672594 Co\n0.243888 0.498850 0.672594 Co\n0.756112 0.501150 0.172594 Co\n0.500000 0.329911 0.427096 P\n0.500000 0.670089 0.927096 P\n0.000000 0.169838 0.118475 P\n0.000000 0.830162 0.618475 P\n0.060223 0.705604 0.338752 H\n0.939777 0.294396 0.838752 H\n0.060223 0.294396 0.838752 H\n0.939777 0.705604 0.338752 H\n0.000000 0.389668 0.325518 H\n0.000000 0.610332 0.825519 H\n0.500000 0.990173 0.169373 N\n0.500000 0.009827 0.669373 N\n0.300528 0.214992 0.415219 O\n0.699472 0.785008 0.915219 O\n0.300528 0.785008 0.915219 O\n0.699472 0.214992 0.415219 O\n0.000000 0.089702 0.263117 O\n0.000000 0.910298 0.763117 O\n0.204033 0.277574 0.093775 O\n0.795967 0.722426 0.593775 O\n0.204033 0.722426 0.593775 O\n0.795967 0.277574 0.093775 O\n0.000000 0.013627 0.018497 O\n0.000000 0.986373 0.518497 O\n0.500000 0.590435 0.071051 O\n0.500000 0.409565 0.571051 O\n0.500000 0.469292 0.313211 O\n0.500000 0.530708 0.813211 O\n0.000000 0.647036 0.079238 O\n0.000000 0.352964 0.579238 O\n",
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{
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"density": 3.372804234730938,
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"volume": 299.75607370735275,
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"formula_full": "La1 Mg2 Mn3 S8",
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{
"id": "mp-22390",
"created_at": "2022-09-04T14:48:19.221073Z",
"structure_string": "Sr4 Ru4 O12\n1.0\n5.614895 0.000000 0.000000\n0.000000 5.660346 0.000000\n0.000000 0.000000 7.928498\nSr Ru O\n4 4 12\ndirect\n0.476032 0.496454 0.250000 Sr\n0.976032 0.003546 0.250000 Sr\n0.523968 0.503546 0.750000 Sr\n0.023968 0.996454 0.750000 Sr\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.218212 0.218471 0.032198 O\n0.718212 0.281529 0.467802 O\n0.781788 0.781529 0.532198 O\n0.281788 0.718471 0.967802 O\n0.781788 0.781529 0.967802 O\n0.281788 0.718471 0.532198 O\n0.218212 0.218471 0.467802 O\n0.718212 0.281529 0.032198 O\n0.005475 0.561344 0.250000 O\n0.505475 0.938656 0.250000 O\n0.994525 0.438656 0.750000 O\n0.494525 0.061344 0.750000 O\n",
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"formula_full": "Sr4 Ru4 O12",
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"updated_at": "2021-11-28T01:40:00.216000Z",
"spacegroup": 62
},
{
"id": "mp-1113281",
"created_at": "2022-09-04T14:48:31.648540Z",
"structure_string": "Cs2 Al1 In1 Br6\n1.0\n0.000000 5.718976 5.718976\n5.718976 0.000000 5.718976\n5.718976 5.718976 0.000000\nCs Al In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.777564 0.222436 0.222436 Br\n0.222436 0.222436 0.777564 Br\n0.222436 0.777564 0.777564 Br\n0.222436 0.777564 0.222436 Br\n0.777564 0.222436 0.777564 Br\n0.777564 0.777564 0.222436 Br\n",
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"In",
"Br"
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"density": 3.937356718818858,
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"formula_full": "Cs2 Al1 In1 Br6",
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},
{
"id": "mp-1522925",
"created_at": "2022-09-04T14:48:30.951617Z",
"structure_string": "Ba1 Nd1 Ni4 O12\n1.0\n5.477850 0.000000 0.000000\n0.000000 5.477850 0.000000\n0.000000 0.000000 7.735895\nBa Nd Ni O\n1 1 4 12\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.500000 Nd\n0.000000 0.500000 0.749174 Ni\n0.000000 0.500000 0.250826 Ni\n0.500000 0.000000 0.749174 Ni\n0.500000 0.000000 0.250826 Ni\n0.233062 0.233062 0.732410 O\n0.233062 0.233062 0.267590 O\n0.766938 0.766938 0.732410 O\n0.766938 0.766938 0.267590 O\n0.766938 0.233062 0.732410 O\n0.766938 0.233062 0.267590 O\n0.233062 0.766938 0.267590 O\n0.233062 0.766938 0.732410 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 O\n",
"nsites": 18,
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"elements": [
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"Ni",
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],
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"volume": 232.12976833739464,
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"formula_full": "Ba1 Nd1 Ni4 O12",
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{
"id": "mp-1197554",
"created_at": "2022-09-04T14:48:30.541260Z",
"structure_string": "Sb8 N4 O24\n1.0\n5.798110 0.000000 0.000000\n0.000000 10.330833 0.000000\n0.000000 3.809837 9.742762\nSb N O\n8 4 24\ndirect\n0.339031 0.814953 0.319654 Sb\n0.839031 0.185047 0.180346 Sb\n0.660969 0.185047 0.680346 Sb\n0.160969 0.814953 0.819654 Sb\n0.732823 0.895376 0.501397 Sb\n0.232823 0.104624 0.998603 Sb\n0.267177 0.104624 0.498603 Sb\n0.767177 0.895376 0.001397 Sb\n0.227682 0.577504 0.660215 N\n0.727682 0.422496 0.839785 N\n0.772318 0.422496 0.339785 N\n0.272318 0.577504 0.160215 N\n0.411328 0.964550 0.411799 O\n0.911328 0.035450 0.088201 O\n0.588672 0.035450 0.588201 O\n0.088672 0.964550 0.911799 O\n0.430160 0.963122 0.134344 O\n0.930160 0.036878 0.365656 O\n0.569840 0.036878 0.865656 O\n0.069840 0.963122 0.634344 O\n0.327165 0.213811 0.631149 O\n0.827165 0.786189 0.868851 O\n0.672835 0.786189 0.368851 O\n0.172835 0.213811 0.131149 O\n0.193959 0.709581 0.640935 O\n0.693959 0.290419 0.859065 O\n0.806041 0.290419 0.359065 O\n0.306041 0.709581 0.140935 O\n0.259016 0.549862 0.554576 O\n0.759016 0.450138 0.945424 O\n0.740984 0.450138 0.445424 O\n0.240984 0.549862 0.054576 O\n0.227750 0.489661 0.778140 O\n0.727750 0.510339 0.721860 O\n0.772250 0.510339 0.221860 O\n0.272250 0.489661 0.278140 O\n",
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{
"id": "mp-1227320",
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"structure_string": "Ca2 Ga1 Ag1\n1.0\n2.040304 -5.783044 0.000000\n2.040304 5.783044 0.000000\n0.000000 0.000000 4.565803\nCa Ga Ag\n2 1 1\ndirect\n0.355613 0.644387 0.000000 Ca\n0.646661 0.353339 0.500000 Ca\n0.931546 0.068454 0.500000 Ga\n0.066180 0.933820 0.000000 Ag\n",
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{
"id": "mp-1212027",
"created_at": "2022-09-04T14:48:19.432055Z",
"structure_string": "La8 Mg2 Si8 C8 O44\n1.0\n5.550576 0.000000 0.000000\n0.000000 11.919186 0.000000\n0.000000 6.158446 12.946823\nLa Mg Si C O\n8 2 8 8 44\ndirect\n0.034486 0.757947 0.549945 La\n0.965514 0.242053 0.450055 La\n0.534486 0.242053 0.950055 La\n0.465514 0.757947 0.049945 La\n0.008600 0.234833 0.737472 La\n0.991400 0.765167 0.262528 La\n0.508600 0.765167 0.762528 La\n0.491400 0.234833 0.237472 La\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.994419 0.947603 0.662595 Si\n0.005581 0.052397 0.337405 Si\n0.494419 0.052397 0.837405 Si\n0.505581 0.947603 0.162595 Si\n0.999131 0.761113 0.909780 Si\n0.000869 0.238887 0.090220 Si\n0.499131 0.238887 0.590220 Si\n0.500869 0.761113 0.409780 Si\n0.336940 0.461602 0.011474 C\n0.663060 0.538398 0.988526 C\n0.836940 0.538398 0.488526 C\n0.163060 0.461602 0.511474 C\n0.014675 0.408301 0.835753 C\n0.985325 0.591699 0.164247 C\n0.514675 0.591699 0.664247 C\n0.485325 0.408301 0.335753 C\n0.991320 0.832979 0.981651 O\n0.008680 0.167021 0.018349 O\n0.491320 0.167021 0.518349 O\n0.508680 0.832979 0.481651 O\n0.236175 0.339055 0.557207 O\n0.763825 0.660945 0.442793 O\n0.736175 0.660945 0.942793 O\n0.263825 0.339055 0.057207 O\n0.776764 0.913176 0.602258 O\n0.223236 0.086824 0.397742 O\n0.276764 0.086824 0.897742 O\n0.723236 0.913176 0.102258 O\n0.933039 0.844059 0.785770 O\n0.066961 0.155941 0.214230 O\n0.433039 0.155941 0.714230 O\n0.566961 0.844059 0.285770 O\n0.254487 0.697512 0.916245 O\n0.745513 0.302488 0.083755 O\n0.754487 0.302488 0.583755 O\n0.245513 0.697512 0.416245 O\n0.244275 0.899889 0.628188 O\n0.755725 0.100111 0.371812 O\n0.744275 0.100111 0.871812 O\n0.255725 0.899889 0.128188 O\n0.217795 0.357481 0.821203 O\n0.782205 0.642519 0.178797 O\n0.717795 0.642519 0.678797 O\n0.282205 0.357481 0.321203 O\n0.499790 0.909998 0.856167 O\n0.500210 0.090002 0.143833 O\n0.999790 0.090002 0.643833 O\n0.000210 0.909998 0.356167 O\n0.505478 0.511689 0.631773 O\n0.494522 0.488311 0.368227 O\n0.005478 0.488311 0.868227 O\n0.994522 0.511689 0.131773 O\n0.009633 0.504033 0.568591 O\n0.990367 0.495967 0.431409 O\n0.509633 0.495967 0.931409 O\n0.490367 0.504033 0.068591 O\n0.314627 0.639933 0.686762 O\n0.685373 0.360067 0.313238 O\n0.814627 0.360067 0.813238 O\n0.185373 0.639933 0.186762 O\n",
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"formula_full": "La8 Mg2 Si8 C8 O44",
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{
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"structure_string": "Cu2 W2 O8\n1.0\n4.733088 0.000000 0.000000\n0.293494 4.969397 0.000000\n0.696033 0.262067 5.879169\nCu W O\n2 2 8\ndirect\n0.501426 0.253038 0.339262 Cu\n0.498574 0.746962 0.660738 Cu\n0.991871 0.253145 0.829640 W\n0.008129 0.746855 0.170360 W\n0.749185 0.427292 0.646625 O\n0.250815 0.572708 0.353375 O\n0.783718 0.430487 0.119495 O\n0.216282 0.569513 0.880505 O\n0.270155 0.092228 0.616298 O\n0.729845 0.907772 0.383702 O\n0.215565 0.056424 0.090059 O\n0.784435 0.943576 0.909941 O\n",
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{
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{
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"elements": [
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{
"id": "mp-1034945",
"created_at": "2022-09-04T14:48:14.843691Z",
"structure_string": "Rb1 Hf1 Mg14 O15\n1.0\n12.451267 0.000000 0.000000\n0.000000 7.835375 0.000000\n0.000000 0.000000 4.172773\nRb Hf Mg O\n1 1 14 15\ndirect\n0.063820 0.000000 0.000000 Rb\n0.038700 0.500000 0.000000 Hf\n0.533527 0.000000 0.000000 Mg\n0.542568 0.500000 0.000000 Mg\n0.924151 0.246740 0.500000 Mg\n0.924151 0.753260 0.500000 Mg\n0.481391 0.262480 0.500000 Mg\n0.481391 0.737520 0.500000 Mg\n0.322394 0.000000 0.500000 Mg\n0.230350 0.500000 0.500000 Mg\n0.751703 0.000000 0.500000 Mg\n0.702325 0.500000 0.500000 Mg\n0.313952 0.262003 0.000000 Mg\n0.313952 0.737997 -0.000000 Mg\n0.759901 0.257904 0.000000 Mg\n0.759901 0.742096 -0.000000 Mg\n0.210290 0.500000 0.000000 O\n0.703092 0.000000 0.000000 O\n0.702688 0.500000 0.000000 O\n0.315161 0.276053 0.500000 O\n0.315161 0.723947 0.500000 O\n0.762019 0.261459 0.500000 O\n0.762019 0.738541 0.500000 O\n0.919844 0.000000 0.500000 O\n0.047899 0.500000 0.500000 O\n0.495924 0.000000 0.500000 O\n0.541785 0.500000 0.500000 O\n0.932854 0.307867 0.000000 O\n0.932854 0.692133 -0.000000 O\n0.482115 0.259915 0.000000 O\n0.482115 0.740085 -0.000000 O\n",
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"formula_full": "Rb1 Hf1 Mg14 O15",
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}
]
}