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{
"id": "mp-1020725",
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"structure_string": "Sr8 Li4 B24 O46\n1.0\n8.625234 0.000000 0.000000\n0.000000 6.532484 0.000000\n0.000000 3.254842 15.157422\nSr Li B O\n8 4 24 46\ndirect\n0.823986 0.969720 0.227356 Sr\n0.323986 0.030280 0.272644 Sr\n0.176014 0.030280 0.772644 Sr\n0.676014 0.969720 0.727356 Sr\n0.984286 0.390652 0.386117 Sr\n0.484286 0.609348 0.113883 Sr\n0.015714 0.609348 0.613883 Sr\n0.515714 0.390652 0.886117 Sr\n0.804480 0.341657 0.024589 Li\n0.304480 0.658343 0.475411 Li\n0.195520 0.658343 0.975411 Li\n0.695520 0.341657 0.524589 Li\n0.654485 0.064145 0.422007 B\n0.154485 0.935855 0.077993 B\n0.345515 0.935855 0.577993 B\n0.845515 0.064145 0.922007 B\n0.830559 0.752150 0.037805 B\n0.330559 0.247850 0.462195 B\n0.169441 0.247850 0.962195 B\n0.669441 0.752150 0.537805 B\n0.880270 0.477098 0.183086 B\n0.380270 0.522902 0.316914 B\n0.119730 0.522902 0.816914 B\n0.619730 0.477098 0.683086 B\n0.602164 0.714746 0.381870 B\n0.102164 0.285254 0.118130 B\n0.397836 0.285254 0.618130 B\n0.897836 0.714746 0.881870 B\n0.662863 0.425496 0.307142 B\n0.162863 0.574504 0.192858 B\n0.337137 0.574504 0.692858 B\n0.837137 0.425496 0.807142 B\n0.039000 0.903132 0.427235 B\n0.539000 0.096868 0.072765 B\n0.961000 0.096868 0.572765 B\n0.461000 0.903132 0.927235 B\n0.938174 0.328681 0.130962 O\n0.438174 0.671319 0.369038 O\n0.061826 0.671319 0.869038 O\n0.561826 0.328681 0.630962 O\n0.529008 0.976951 0.155964 O\n0.029008 0.023049 0.344036 O\n0.470992 0.023049 0.844036 O\n0.970992 0.976951 0.655964 O\n0.677969 0.274398 0.400679 O\n0.177969 0.725602 0.099321 O\n0.322031 0.725602 0.599321 O\n0.822031 0.274398 0.900679 O\n0.835293 0.971198 0.012625 O\n0.335293 0.028802 0.487375 O\n0.164707 0.028802 0.987375 O\n0.664707 0.971198 0.512625 O\n0.707092 0.629663 0.325157 O\n0.207092 0.370337 0.174843 O\n0.292908 0.370337 0.674843 O\n0.792908 0.629663 0.825157 O\n0.083442 0.697424 0.448911 O\n0.583442 0.302576 0.051089 O\n0.916558 0.302576 0.551089 O\n0.416558 0.697424 0.948911 O\n0.853365 0.634915 0.976280 O\n0.353365 0.365085 0.523720 O\n0.146635 0.365085 0.023720 O\n0.646635 0.634915 0.476280 O\n0.773965 0.357229 0.248790 O\n0.273965 0.642771 0.251210 O\n0.226035 0.642771 0.751210 O\n0.726035 0.357229 0.748790 O\n0.004227 0.577166 0.224539 O\n0.504227 0.422834 0.275461 O\n0.995773 0.422834 0.775461 O\n0.495773 0.577166 0.724539 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.792569 0.663592 0.123656 O\n0.292569 0.336408 0.376344 O\n0.207431 0.336408 0.876344 O\n0.707431 0.663592 0.623656 O\n0.622908 0.948963 0.359986 O\n0.122908 0.051037 0.140014 O\n0.377092 0.051037 0.640014 O\n0.877092 0.948963 0.859986 O\n",
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"formula_full": "Sr8 Li4 B24 O46",
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"spacegroup": 14
},
{
"id": "mp-1173231",
"created_at": "2022-09-04T14:46:55.869071Z",
"structure_string": "Sr4 Ca1 Y1 Co2 Cu4 O14\n1.0\n5.237820 -0.069555 -1.463171\n-0.252886 5.292792 -1.297886\n0.588079 0.216489 12.232053\nSr Ca Y Co Cu O\n4 1 1 2 4 14\ndirect\n0.157186 0.160545 0.301847 Sr\n0.361228 0.362686 0.700263 Sr\n0.638772 0.637314 0.299737 Sr\n0.842814 0.839455 0.698153 Sr\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Y\n0.186074 0.809588 0.500110 Co\n0.813926 0.190412 0.499890 Co\n0.071844 0.574006 0.148148 Cu\n0.426899 0.927093 0.851373 Cu\n0.573101 0.072907 0.148627 Cu\n0.928156 0.425994 0.851852 Cu\n0.179699 0.178913 0.866047 O\n0.180488 0.691172 0.869709 O\n0.175160 0.169789 0.501643 O\n0.191151 0.655598 0.352544 O\n0.336150 0.800307 0.647594 O\n0.306855 0.308020 0.124452 O\n0.308052 0.820663 0.131107 O\n0.691948 0.179337 0.868893 O\n0.693145 0.691980 0.875548 O\n0.663850 0.199693 0.352406 O\n0.808849 0.344402 0.647456 O\n0.824840 0.830211 0.498357 O\n0.819512 0.308828 0.130291 O\n0.820301 0.821087 0.133953 O\n",
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"elements": [
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"formula_full": "Sr4 Ca1 Y1 Co2 Cu4 O14",
"formula_reduced": "Sr4CaYCo2(Cu2O7)2",
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"spacegroup": 12
},
{
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"created_at": "2022-09-04T14:47:03.395430Z",
"structure_string": "Te1\n1.0\n1.507200 -4.327025 0.000000\n1.507200 4.327025 0.000000\n0.000000 0.000000 2.989988\nTe\n1\ndirect\n0.500000 0.500000 0.000000 Te\n",
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"updated_at": "2021-11-28T01:37:49.897000Z",
"spacegroup": 65
},
{
"id": "mp-1207334",
"created_at": "2022-09-04T14:47:08.364643Z",
"structure_string": "Hf2 Cu1 Si3\n1.0\n8.406066 0.000000 0.000000\n0.000000 8.406066 0.000000\n0.000000 0.000000 35.102160\nHf Cu Si\n2 1 3\ndirect\n0.500000 0.500000 0.243146 Hf\n0.500000 0.500000 0.756854 Hf\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.690977 Si\n0.500000 0.500000 0.309023 Si\n0.500000 0.500000 0.000000 Si\n",
"nsites": 6,
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"density": 0.33793560776668685,
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"volume": 2480.386920234583,
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"formula_full": "Hf2 Cu1 Si3",
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"energy": -15.430480780000002,
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},
{
"id": "mp-1104297",
"created_at": "2022-09-04T14:47:01.588068Z",
"structure_string": "Yb3 Ga9 Pd2\n1.0\n-2.153411 4.849220 6.225787\n2.153411 -4.849220 6.225787\n2.153411 4.849220 -6.225787\nYb Ga Pd\n3 9 2\ndirect\n0.500000 0.500000 0.000000 Yb\n0.201686 0.201686 0.000000 Yb\n0.798314 0.798314 0.000000 Yb\n0.083883 0.363855 0.720028 Ga\n0.916117 0.636145 0.279972 Ga\n0.643828 0.363855 0.279972 Ga\n0.356172 0.636145 0.720028 Ga\n0.790179 0.155939 0.634240 Ga\n0.209821 0.844061 0.365760 Ga\n0.521698 0.155939 0.365760 Ga\n0.478302 0.844061 0.634240 Ga\n0.000000 0.500000 0.500000 Ga\n0.820682 0.000000 0.820682 Pd\n0.179318 0.000000 0.179318 Pd\n",
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"elements": [
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],
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"density": 8.680898990753079,
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{
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"created_at": "2022-09-04T14:47:06.233676Z",
"structure_string": "Ho4 Sb4 O16\n1.0\n5.382537 0.000000 0.000000\n0.000000 7.555729 0.000000\n0.000000 1.187516 7.591217\nHo Sb O\n4 4 16\ndirect\n0.726515 0.882834 0.351109 Ho\n0.273485 0.117166 0.648891 Ho\n0.773485 0.382834 0.351109 Ho\n0.226515 0.617166 0.648891 Ho\n0.764786 0.307874 0.839129 Sb\n0.235214 0.692126 0.160871 Sb\n0.264786 0.192126 0.160871 Sb\n0.735214 0.807874 0.839129 Sb\n0.908510 0.807306 0.069914 O\n0.091490 0.192694 0.930086 O\n0.383547 0.938569 0.173991 O\n0.616453 0.061431 0.826009 O\n0.116453 0.438569 0.173991 O\n0.883547 0.561431 0.826009 O\n0.591490 0.307306 0.069914 O\n0.408510 0.692694 0.930086 O\n0.965163 0.321090 0.613778 O\n0.034837 0.678910 0.386222 O\n0.465163 0.178910 0.386222 O\n0.534837 0.821090 0.613778 O\n0.521682 0.617027 0.314502 O\n0.478318 0.382973 0.685498 O\n0.978318 0.117027 0.314502 O\n0.021682 0.882973 0.685498 O\n",
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{
"id": "mp-1025497",
"created_at": "2022-09-04T14:46:58.309443Z",
"structure_string": "Al2 V4 C2\n1.0\n1.454795 -2.519779 0.000000\n1.454795 2.519779 0.000000\n0.000000 0.000000 13.097172\nAl V C\n2 4 2\ndirect\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.333333 0.666667 0.414429 V\n0.666667 0.333333 0.585571 V\n0.666667 0.333333 0.914429 V\n0.333333 0.666667 0.085571 V\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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"formula_full": "Al2 V4 C2",
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{
"id": "mp-28988",
"created_at": "2022-09-04T14:47:03.756861Z",
"structure_string": "In28 Br36\n1.0\n12.921311 0.000000 0.000000\n0.000000 12.921311 0.000000\n0.000000 0.000000 12.921311\nIn Br\n28 36\ndirect\n0.817667 0.433110 0.328493 In\n0.317667 0.066890 0.671507 In\n0.182333 0.933110 0.171507 In\n0.066890 0.671507 0.317667 In\n0.171507 0.182333 0.933110 In\n0.671507 0.317667 0.066890 In\n0.433110 0.328493 0.817667 In\n0.328493 0.817667 0.433110 In\n0.933110 0.171507 0.182333 In\n0.566890 0.828493 0.682333 In\n0.828493 0.682333 0.566890 In\n0.682333 0.566890 0.828493 In\n0.182333 0.566890 0.671507 In\n0.682333 0.933110 0.328493 In\n0.817667 0.066890 0.828493 In\n0.933110 0.328493 0.682333 In\n0.828493 0.817667 0.066890 In\n0.328493 0.682333 0.933110 In\n0.566890 0.671507 0.182333 In\n0.671507 0.182333 0.566890 In\n0.066890 0.828493 0.817667 In\n0.433110 0.171507 0.317667 In\n0.171507 0.317667 0.433110 In\n0.317667 0.433110 0.171507 In\n0.500000 0.500000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.947650 0.199943 0.454828 Br\n0.447650 0.300057 0.545172 Br\n0.052350 0.699943 0.045172 Br\n0.300057 0.545172 0.447650 Br\n0.045172 0.052350 0.699943 Br\n0.545172 0.447650 0.300057 Br\n0.199943 0.454828 0.947650 Br\n0.454828 0.947650 0.199943 Br\n0.699943 0.045172 0.052350 Br\n0.800057 0.954828 0.552350 Br\n0.954828 0.552350 0.800057 Br\n0.552350 0.800057 0.954828 Br\n0.052350 0.800057 0.545172 Br\n0.552350 0.699943 0.454828 Br\n0.947650 0.300057 0.954828 Br\n0.829040 0.670960 0.329040 Br\n0.699943 0.454828 0.552350 Br\n0.454828 0.552350 0.699943 Br\n0.800057 0.545172 0.052350 Br\n0.545172 0.052350 0.800057 Br\n0.300057 0.954828 0.947650 Br\n0.199943 0.045172 0.447650 Br\n0.045172 0.447650 0.199943 Br\n0.447650 0.199943 0.045172 Br\n0.170960 0.329040 0.670960 Br\n0.329040 0.670960 0.170960 Br\n0.670960 0.170960 0.329040 Br\n0.829040 0.829040 0.829040 Br\n0.000000 0.000000 0.000000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.500000 0.000000 Br\n0.000000 0.500000 0.500000 Br\n0.170960 0.170960 0.170960 Br\n0.329040 0.829040 0.670960 Br\n0.670960 0.329040 0.829040 Br\n0.954828 0.947650 0.300057 Br\n",
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"formula_full": "In28 Br36",
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{
"id": "mp-7561",
"created_at": "2022-09-04T14:47:05.929072Z",
"structure_string": "Sr2 Pd6 O8\n1.0\n5.923383 0.000000 0.000000\n0.000000 5.923383 0.000000\n0.000000 0.000000 5.923383\nSr Pd O\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.750000 0.000000 0.500000 Pd\n0.000000 0.500000 0.250000 Pd\n0.000000 0.500000 0.750000 Pd\n0.250000 0.000000 0.500000 Pd\n0.500000 0.750000 0.000000 Pd\n0.500000 0.250000 0.000000 Pd\n0.750000 0.250000 0.250000 O\n0.250000 0.250000 0.750000 O\n0.250000 0.750000 0.250000 O\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.250000 O\n0.750000 0.250000 0.750000 O\n0.250000 0.750000 0.750000 O\n",
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"formula_full": "Sr2 Pd6 O8",
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