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{
"id": "mp-1211738",
"created_at": "2022-09-04T14:41:58.076007Z",
"structure_string": "K2 Rb1 La1 V2 O8\n1.0\n3.095378 -5.361351 0.000000\n3.095378 5.361351 0.000000\n0.000000 0.000000 7.970533\nK Rb La V O\n2 1 1 2 8\ndirect\n0.333333 0.666667 0.707789 K\n0.666667 0.333333 0.292211 K\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 La\n0.333333 0.666667 0.243719 V\n0.666667 0.333333 0.756281 V\n0.333333 0.666667 0.031541 O\n0.666667 0.333333 0.968459 O\n0.178818 0.821182 0.320661 O\n0.821182 0.178818 0.679339 O\n0.178818 0.357636 0.320661 O\n0.821182 0.642364 0.679339 O\n0.642364 0.821182 0.320661 O\n0.357636 0.178818 0.679339 O\n",
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{
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},
{
"id": "mp-1096596",
"created_at": "2022-09-04T14:42:28.962261Z",
"structure_string": "Ti1 Cu1 Au2\n1.0\n-4.997038 5.317967 7.525195\n4.997038 -5.317967 7.525195\n4.997038 5.317967 -7.525195\nTi Cu Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cu\n0.000000 0.252190 0.252190 Au\n0.000000 0.747810 0.747810 Au\n",
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{
"id": "mp-3669",
"created_at": "2022-09-04T14:41:58.006614Z",
"structure_string": "Mn2 Nb8 S16\n1.0\n3.362096 -5.823321 0.000000\n3.362096 5.823321 0.000000\n0.000000 0.000000 12.350840\nMn Nb S\n2 8 16\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.987996 0.493998 0.250000 Nb\n0.012004 0.506002 0.750000 Nb\n0.493998 0.506002 0.750000 Nb\n0.506002 0.012004 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.000000 0.000000 0.250000 Nb\n0.506002 0.493998 0.250000 Nb\n0.493998 0.987996 0.750000 Nb\n0.333333 0.666667 0.619884 S\n0.666667 0.333333 0.119884 S\n0.666667 0.333333 0.380116 S\n0.333333 0.666667 0.880116 S\n0.167782 0.335565 0.376361 S\n0.832218 0.167782 0.876361 S\n0.335565 0.167782 0.876361 S\n0.664435 0.832218 0.376361 S\n0.167782 0.832218 0.376361 S\n0.832218 0.664435 0.876361 S\n0.167782 0.335565 0.123639 S\n0.832218 0.167782 0.623639 S\n0.335565 0.167782 0.623639 S\n0.664435 0.832218 0.123639 S\n0.167782 0.832218 0.123639 S\n0.832218 0.664435 0.623639 S\n",
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"formula_full": "Mn2 Nb8 S16",
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{
"id": "mp-1200879",
"created_at": "2022-09-04T14:41:58.009365Z",
"structure_string": "Y6 Ge26 Pt8\n1.0\n6.437554 6.445507 0.000000\n-6.437554 6.445507 0.000000\n0.000000 0.079163 9.170134\nY Ge Pt\n6 26 8\ndirect\n0.000343 0.000846 0.500472 Y\n0.000846 0.000343 0.000472 Y\n0.746610 0.498463 0.748860 Y\n0.498463 0.746610 0.248860 Y\n0.256797 0.501376 0.750418 Y\n0.501376 0.256797 0.250418 Y\n0.496064 0.007105 0.753453 Ge\n0.007105 0.496064 0.253453 Ge\n0.147510 0.174113 0.753361 Ge\n0.174113 0.147510 0.253361 Ge\n0.846319 0.166505 0.750900 Ge\n0.166505 0.846319 0.250900 Ge\n0.502569 0.681799 0.612149 Ge\n0.681799 0.502569 0.112149 Ge\n0.004138 0.387143 0.514621 Ge\n0.387143 0.004138 0.014621 Ge\n0.000102 0.669915 0.603426 Ge\n0.669915 0.000102 0.103426 Ge\n0.265417 0.504298 0.142090 Ge\n0.504298 0.265417 0.642090 Ge\n0.001400 0.667426 0.900477 Ge\n0.667426 0.001400 0.400477 Ge\n0.219933 0.880238 0.750788 Ge\n0.880238 0.219933 0.250788 Ge\n0.997310 0.385105 0.985791 Ge\n0.385105 0.997310 0.485791 Ge\n0.501678 0.663851 0.913385 Ge\n0.663851 0.501678 0.413385 Ge\n0.749601 0.888489 0.751210 Ge\n0.888489 0.749601 0.251210 Ge\n0.352266 0.496817 0.420751 Ge\n0.496817 0.352266 0.920751 Ge\n0.750480 0.250908 0.002039 Pt\n0.250908 0.750480 0.502039 Pt\n0.750528 0.251872 0.501005 Pt\n0.251872 0.750528 0.001005 Pt\n0.754023 0.756375 0.500069 Pt\n0.756375 0.754023 0.000069 Pt\n0.252171 0.248097 0.505135 Pt\n0.248097 0.252171 0.005135 Pt\n",
"nsites": 40,
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"density": 8.690568368743987,
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"volume": 760.9982306477937,
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"formula_full": "Y6 Ge26 Pt8",
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{
"id": "mp-1192723",
"created_at": "2022-09-04T14:41:58.012029Z",
"structure_string": "Cs8 Cu4 Br16\n1.0\n0.000000 -8.216405 0.000000\n-10.426049 0.000000 0.000000\n0.000000 0.000000 -13.128379\nCs Cu Br\n8 4 16\ndirect\n0.750000 0.373595 0.603523 Cs\n0.750000 0.873595 0.896477 Cs\n0.250000 0.626405 0.396477 Cs\n0.250000 0.126405 0.103523 Cs\n0.750000 0.495867 0.169022 Cs\n0.750000 0.995867 0.330978 Cs\n0.250000 0.504133 0.830978 Cs\n0.250000 0.004133 0.669022 Cs\n0.750000 0.268527 0.916818 Cu\n0.750000 0.768527 0.583182 Cu\n0.250000 0.731473 0.083182 Cu\n0.250000 0.231473 0.416818 Cu\n0.750000 0.495929 0.881063 Br\n0.750000 0.995929 0.618937 Br\n0.250000 0.504071 0.118937 Br\n0.250000 0.004071 0.381063 Br\n0.750000 0.156738 0.078434 Br\n0.750000 0.656738 0.421566 Br\n0.250000 0.843262 0.921566 Br\n0.250000 0.343262 0.578434 Br\n0.486080 0.206252 0.857021 Br\n0.013920 0.706252 0.642979 Br\n0.986080 0.793748 0.142979 Br\n0.513920 0.293748 0.357021 Br\n0.513920 0.793748 0.142979 Br\n0.986080 0.293748 0.357021 Br\n0.013920 0.206252 0.857021 Br\n0.486080 0.706252 0.642979 Br\n",
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"formula_full": "Cs8 Cu4 Br16",
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"spacegroup": 62
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{
"id": "mp-1217000",
"created_at": "2022-09-04T14:41:58.014660Z",
"structure_string": "V2 H52 C24 O8\n1.0\n-0.056576 -9.910106 0.000000\n-8.707062 -5.005528 0.000000\n0.000000 0.000000 -11.659543\nV H C O\n2 52 24 8\ndirect\n0.734901 0.998826 0.141393 V\n0.265099 0.001174 0.641393 V\n0.526667 0.435088 0.128166 H\n0.963900 0.563036 0.127877 H\n0.473333 0.564912 0.628166 H\n0.036100 0.436964 0.627877 H\n0.549011 0.414407 0.347215 H\n0.965439 0.583516 0.347498 H\n0.450989 0.585593 0.847215 H\n0.034561 0.416484 0.847498 H\n0.194554 0.024697 0.962171 H\n0.805446 0.975303 0.462171 H\n0.479291 0.305560 0.421539 H\n0.784693 0.694122 0.421610 H\n0.520709 0.694440 0.921539 H\n0.215307 0.305878 0.921610 H\n0.344221 0.484748 0.355947 H\n0.830437 0.515607 0.355934 H\n0.655779 0.515252 0.855947 H\n0.169563 0.484393 0.855934 H\n0.443972 0.338528 0.052294 H\n0.782542 0.661639 0.052353 H\n0.556028 0.661472 0.552294 H\n0.217458 0.338361 0.552353 H\n0.357701 0.173506 0.162917 H\n0.529176 0.828564 0.162806 H\n0.642299 0.826494 0.662917 H\n0.470824 0.171436 0.662806 H\n0.366985 0.169282 0.316246 H\n0.533829 0.832548 0.316232 H\n0.633015 0.830718 0.816246 H\n0.466171 0.167452 0.816232 H\n0.944940 0.143108 0.842271 H\n0.085635 0.851684 0.839145 H\n0.055060 0.856892 0.342271 H\n0.914365 0.148316 0.339145 H\n0.773725 0.149287 0.897289 H\n0.917405 0.852398 0.895419 H\n0.226275 0.850713 0.397289 H\n0.082595 0.147602 0.395419 H\n0.229207 0.340674 0.243586 H\n0.569558 0.661638 0.243396 H\n0.770793 0.659326 0.743586 H\n0.430442 0.338362 0.743396 H\n0.322334 0.504074 0.137524 H\n0.828068 0.496498 0.137548 H\n0.677666 0.495926 0.637524 H\n0.171932 0.503502 0.637548 H\n0.858803 0.245496 0.971620 H\n0.102291 0.747265 0.967127 H\n0.141197 0.754504 0.471620 H\n0.897709 0.252735 0.467127 H\n0.203892 0.914097 0.095116 H\n0.796108 0.085903 0.595116 H\n0.137561 0.986901 0.023292 C\n0.862439 0.013099 0.523292 C\n0.884098 0.143273 0.921011 C\n0.025345 0.852076 0.918257 C\n0.115902 0.856727 0.421011 C\n0.974655 0.147924 0.418257 C\n0.348282 0.240699 0.239896 C\n0.587595 0.761048 0.239841 C\n0.651718 0.759301 0.739896 C\n0.412405 0.238952 0.739841 C\n0.459592 0.380474 0.347300 C\n0.840993 0.618970 0.347374 C\n0.540408 0.619526 0.847300 C\n0.159007 0.381030 0.847374 C\n0.987686 0.995933 0.989592 C\n0.012314 0.004067 0.489592 C\n0.438250 0.399845 0.131776 C\n0.839161 0.599837 0.131759 C\n0.561750 0.600155 0.631776 C\n0.160839 0.400163 0.631759 C\n0.466324 0.296471 0.236016 C\n0.762935 0.703517 0.236061 C\n0.533676 0.703529 0.736016 C\n0.237065 0.296483 0.736061 C\n0.622979 0.165770 0.229355 O\n0.788278 0.832999 0.229709 O\n0.377021 0.834230 0.729355 O\n0.211722 0.167001 0.729709 O\n0.909063 0.996132 0.094486 O\n0.090937 0.003868 0.594486 O\n0.632211 0.000540 0.031605 O\n0.367789 0.999460 0.531605 O\n",
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{
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"structure_string": "Cd4 Mo3 W1 O16\n1.0\n5.240115 0.000000 0.000000\n0.000000 5.240115 0.000000\n0.000000 0.000000 11.506238\nCd Mo W O\n4 3 1 16\ndirect\n0.000000 0.500000 0.749856 Cd\n0.500000 0.000000 0.250144 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.750053 Mo\n0.000000 0.500000 0.249947 Mo\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 W\n0.341586 0.244675 0.834898 O\n0.840179 0.743882 0.334959 O\n0.658414 0.755325 0.834898 O\n0.159821 0.256118 0.334959 O\n0.245011 0.158491 0.084764 O\n0.747611 0.660169 0.585662 O\n0.754989 0.841509 0.084764 O\n0.252389 0.339831 0.585662 O\n0.158491 0.754989 0.915236 O\n0.660169 0.252389 0.414338 O\n0.841509 0.245011 0.915236 O\n0.339831 0.747611 0.414338 O\n0.256118 0.840179 0.665041 O\n0.755325 0.341586 0.165102 O\n0.743882 0.159821 0.665041 O\n0.244675 0.658414 0.165102 O\n",
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{
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{
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