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{
"id": "jvasp-36925",
"created_at": "2022-09-04T14:38:00.885623Z",
"updated_at": "2022-09-04T14:38:00.885643Z",
"structure_string": "K2 Cr2 Cl6\n1.0\n6.013288 -0.012148 3.406003\n1.979562 5.678125 3.406003\n-0.017137 -0.012148 6.910875\nK Cr Cl\n2 2 6\ndirect\n0.255644 0.255644 0.255644 K\n0.755644 0.755644 0.755643 K\n0.005709 0.005709 0.005709 Cr\n0.505708 0.505709 0.505708 Cr\n0.255737 0.800138 0.711271 Cl\n0.800138 0.711272 0.255737 Cl\n0.711272 0.255737 0.800137 Cl\n0.211271 0.300138 0.755737 Cl\n0.755738 0.211271 0.300137 Cl\n0.300138 0.755738 0.211271 Cl\n",
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{
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"structure_string": "Rb6 Ho2 O6\n1.0\n3.852630 6.081893 0.136631\n-3.852630 6.081893 -0.136631\n-1.413868 0.000000 7.019312\nRb Ho O\n6 2 6\ndirect\n0.360934 0.639065 0.638951 Rb\n0.799384 0.799385 0.500000 Rb\n0.200615 0.200615 0.500000 Rb\n0.259000 0.259000 -0.000000 Rb\n0.741000 0.741000 0.000000 Rb\n0.639065 0.360935 0.361048 Rb\n0.180510 0.819489 0.146340 Ho\n0.819489 0.180511 0.853660 Ho\n0.097841 0.902159 0.837491 O\n0.169111 0.548601 0.268002 O\n0.451399 0.830889 0.268002 O\n0.548601 0.169111 0.731997 O\n0.830889 0.451399 0.731997 O\n0.902158 0.097841 0.162509 O\n",
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"spacegroup": 12
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{
"id": "jvasp-23900",
"created_at": "2022-09-04T14:37:35.963848Z",
"updated_at": "2022-09-04T14:37:35.963878Z",
"structure_string": "Rb2 V2 Cl6\n1.0\n3.622367 -6.274123 -0.000000\n3.622367 6.274123 0.000000\n-0.000000 0.000000 5.206061\nRb V Cl\n2 2 6\ndirect\n0.666667 0.333334 0.750000 Rb\n0.333334 0.666667 0.250000 Rb\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.834123 0.165877 0.250000 Cl\n0.165877 0.331753 0.750000 Cl\n0.668248 0.834124 0.750000 Cl\n0.331753 0.165877 0.250000 Cl\n0.165877 0.834123 0.750000 Cl\n0.834124 0.668248 0.250000 Cl\n",
"nsites": 10,
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"volume": 236.63813036386142,
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"formula_full": "Rb2 V2 Cl6",
"formula_reduced": "RbVCl3",
"formula_anonymous": "ABC3",
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"spacegroup": 194
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{
"id": "jvasp-54879",
"created_at": "2022-09-04T14:37:12.183087Z",
"updated_at": "2022-09-04T14:37:12.183112Z",
"structure_string": "Ti2 Cl6\n1.0\n3.100639 -5.370465 0.000000\n3.100639 5.370465 -0.000000\n-0.000000 0.000000 5.684908\nTi Cl\n2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.685871 0.685871 0.250000 Cl\n0.000000 0.685871 0.750000 Cl\n0.314129 0.314129 0.750000 Cl\n0.000000 0.314129 0.250000 Cl\n0.685871 0.000000 0.750000 Cl\n0.314129 0.000000 0.250000 Cl\n",
"nsites": 8,
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"elements": [
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"volume": 189.32873464785118,
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},
{
"id": "jvasp-92181",
"created_at": "2022-09-04T14:36:09.330538Z",
"updated_at": "2022-09-04T14:36:09.330553Z",
"structure_string": "Zn3 Cr1 Se4\n1.0\n5.742132 -0.000000 0.000000\n0.000000 5.742132 -0.000000\n0.000000 0.000000 5.742132\nZn Cr Se\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cr\n0.748857 0.748857 0.251142 Se\n0.748857 0.251142 0.748857 Se\n0.251142 0.748857 0.748857 Se\n0.251142 0.251142 0.251142 Se\n",
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"formula_full": "Zn3 Cr1 Se4",
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{
"id": "jvasp-34206",
"created_at": "2022-09-04T14:37:13.739683Z",
"updated_at": "2022-09-04T14:37:13.739712Z",
"structure_string": "Na3 S1 O4 F1\n1.0\n6.021570 0.710360 0.492397\n0.519628 6.054304 0.506906\n0.683866 0.716119 6.007494\nNa S O F\n3 1 4 1\ndirect\n0.401599 -0.009626 0.401762 Na\n0.402742 0.403178 -0.008622 Na\n-0.008018 0.403851 0.403607 Na\n0.503420 0.502379 0.503023 S\n0.648889 0.331694 0.649021 O\n0.329463 0.646710 0.646500 O\n0.647328 0.647653 0.330284 O\n0.385528 0.381548 0.384039 O\n0.167053 0.170608 0.168386 F\n",
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"volume": 212.99912395756445,
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"formula_full": "Na3 S1 O4 F1",
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"formula_anonymous": "ABC3D4",
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"spacegroup": 160
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{
"id": "jvasp-74869",
"created_at": "2022-09-04T14:36:16.265040Z",
"updated_at": "2022-09-04T14:36:16.265057Z",
"structure_string": "Sr1 Be1 Hg2\n1.0\n-2.558543 2.558543 3.615486\n2.558543 -2.558543 3.615486\n2.558543 2.558543 -3.615486\nSr Be Hg\n1 1 2\ndirect\n0.250000 0.750000 0.499999 Sr\n0.750000 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.000000 Hg\n",
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"spacegroup": 225
},
{
"id": "jvasp-118805",
"created_at": "2022-09-04T14:38:53.000134Z",
"updated_at": "2022-09-04T14:38:53.000159Z",
"structure_string": "Na2 Si2\n1.0\n5.929013 0.436533 -0.993788\n-1.463838 -5.628610 -0.203642\n1.935474 -0.384900 -3.259604\nNa Si\n2 2\ndirect\n0.143849 0.183448 -0.096491 Na\n0.844964 0.587130 0.702817 Na\n0.557241 0.012626 -0.009747 Si\n0.431655 0.757999 0.616041 Si\n",
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"formula_full": "Na2 Si2",
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{
"id": "jvasp-100530",
"created_at": "2022-09-04T14:36:32.371162Z",
"updated_at": "2022-09-04T14:36:32.371182Z",
"structure_string": "Sm1 In5 Rh1\n1.0\n4.676288 0.000000 -0.000000\n0.000000 4.676288 0.000000\n0.000000 -0.000000 7.576561\nSm In Rh\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.302581 In\n0.000000 0.500000 0.697419 In\n0.500000 0.000000 0.302581 In\n0.500000 0.000000 0.697419 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 Rh\n",
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{
"id": "jvasp-22035",
"created_at": "2022-09-04T14:37:36.072589Z",
"updated_at": "2022-09-04T14:37:36.072614Z",
"structure_string": "Sr8 Ga16 S32\n1.0\n11.598408 0.015575 -3.104224\n-6.741207 9.438190 -3.104224\n-0.020966 -0.040807 12.123452\nSr Ga S\n8 16 32\ndirect\n0.875000 0.124999 0.250000 Sr\n0.873064 0.623064 0.246131 Sr\n0.376935 0.126935 0.253870 Sr\n0.126935 0.376935 0.753869 Sr\n0.124999 0.875000 0.750000 Sr\n0.624999 0.374999 0.750000 Sr\n0.375000 0.625000 0.250000 Sr\n0.623064 0.873064 0.746131 Sr\n0.888141 0.863131 0.998955 Ga\n0.864177 0.389187 0.501045 Ga\n0.136868 0.111858 0.501045 Ga\n0.610812 0.135822 0.998955 Ga\n0.111858 0.136868 0.001045 Ga\n0.135822 0.610812 0.498955 Ga\n0.389187 0.864178 0.001045 Ga\n0.863131 0.888141 0.498956 Ga\n0.360064 0.467926 0.500368 Ga\n0.967558 0.359696 0.999632 Ga\n0.467927 0.360064 0.000368 Ga\n0.359696 0.967559 0.499633 Ga\n0.639935 0.532073 0.499632 Ga\n0.032441 0.640303 0.000368 Ga\n0.532072 0.639935 0.999632 Ga\n0.640303 0.032440 0.500368 Ga\n0.084476 0.583780 0.665881 S\n0.081404 0.082101 0.665881 S\n0.416219 0.915523 0.834119 S\n0.917898 0.918595 0.834119 S\n0.812432 0.154590 0.997839 S\n0.082101 0.081404 0.165881 S\n0.156751 0.314594 0.502161 S\n0.845409 0.187566 0.502161 S\n0.685404 0.843248 0.997839 S\n0.187567 0.845410 0.002161 S\n0.843248 0.685405 0.497839 S\n0.154590 0.812433 0.497839 S\n0.314595 0.156751 0.002161 S\n0.152390 0.341622 0.002171 S\n0.339450 0.650219 0.497829 S\n0.658378 0.847609 0.497829 S\n0.349780 0.660549 0.002171 S\n0.583780 0.084476 0.165881 S\n0.847609 0.658378 0.997829 S\n0.341621 0.152390 0.502171 S\n0.650219 0.339450 0.997829 S\n0.582159 0.082245 0.666502 S\n0.415742 0.415656 0.833497 S\n0.917754 0.417840 0.833498 S\n0.584342 0.584256 0.666503 S\n0.417840 0.917754 0.333498 S\n0.584257 0.584343 0.166503 S\n0.082245 0.582159 0.166503 S\n0.415657 0.415743 0.333498 S\n0.915523 0.416219 0.334119 S\n0.660549 0.349780 0.502171 S\n0.918595 0.917899 0.334120 S\n",
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{
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"created_at": "2022-09-04T14:36:33.091423Z",
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"structure_string": "Ag6 S2 I2\n1.0\n0.000000 4.766963 -0.162550\n7.054312 0.000000 0.000000\n0.000000 0.150934 -7.044118\nAg S I\n6 2 2\ndirect\n0.446597 0.748412 0.511581 Ag\n0.573058 0.705474 0.915663 Ag\n0.426940 0.205474 0.084338 Ag\n0.553401 0.248412 0.488420 Ag\n0.060422 0.550197 0.110863 Ag\n0.939577 0.050197 0.889137 Ag\n0.549620 0.517983 0.229704 S\n0.450378 0.017983 0.770296 S\n-0.004406 0.977932 0.311296 I\n0.004405 0.477932 0.688705 I\n",
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{
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"created_at": "2022-09-04T14:38:14.760751Z",
"updated_at": "2022-09-04T14:38:14.760774Z",
"structure_string": "Pr3 Sn3 Pd3\n1.0\n3.845822 -6.661160 -0.000000\n3.845822 6.661160 0.000000\n-0.000000 -0.000000 4.157989\nPr Sn Pd\n3 3 3\ndirect\n-0.000000 0.410919 0.000000 Pr\n0.410919 -0.000000 0.000000 Pr\n0.589080 0.589080 0.000000 Pr\n0.748090 -0.000000 0.500000 Sn\n-0.000000 0.748090 0.500000 Sn\n0.251909 0.251909 0.500000 Sn\n0.666667 0.333333 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.333333 0.666667 0.500000 Pd\n",
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"formula_full": "Pr3 Sn3 Pd3",
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}
]
}