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{
"id": "jvasp-110394",
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"structure_string": "Zn2 O4 F4\n1.0\n3.064768 -0.127114 -0.863367\n-1.196180 6.433440 -4.362855\n-0.549210 -3.052721 9.479222\nZn O F\n2 4 4\ndirect\n0.500016 0.250002 0.250001 Zn\n0.499985 0.749999 0.749999 Zn\n0.458901 0.843724 0.272507 O\n0.541124 0.656278 0.227495 O\n0.541100 0.156277 0.727494 O\n0.458877 0.343724 0.772506 O\n0.161094 0.296949 0.419941 F\n0.838909 0.203052 0.080058 F\n0.838907 0.703052 0.580059 F\n0.161092 0.796950 0.919942 F\n",
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{
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"volume": 121.2214021386689,
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"formula_full": "Zn2 P2 O7",
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{
"id": "jvasp-4423",
"created_at": "2022-09-04T14:37:42.760968Z",
"updated_at": "2022-09-04T14:37:42.761001Z",
"structure_string": "Zn2 P2 S6\n1.0\n5.936199 0.001294 -0.884793\n-3.164249 5.022548 -0.884793\n-0.001197 -0.002169 6.782265\nZn P S\n2 2 6\ndirect\n0.332290 0.667710 0.000000 Zn\n0.667710 0.332289 0.000000 Zn\n0.057253 0.057253 0.171511 P\n0.942746 0.942746 0.828490 P\n0.413100 0.082901 0.250543 S\n0.917098 0.586899 0.749459 S\n0.247879 0.247879 0.751696 S\n0.752120 0.752120 0.248305 S\n0.586899 0.917098 0.749459 S\n0.082901 0.413100 0.250543 S\n",
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"density_atomic": 0.04945178659585896,
"volume": 202.21716318814234,
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"formula_reduced": "ZnPS3",
"formula_anonymous": "ABC3",
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"spacegroup": 12
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{
"id": "jvasp-30076",
"created_at": "2022-09-04T14:38:03.371784Z",
"updated_at": "2022-09-04T14:38:03.371815Z",
"structure_string": "Zn2 P4 H8 O8\n1.0\n6.476849 0.000000 0.000000\n0.000000 5.409727 0.000000\n0.000000 0.000000 7.301069\nZn P H O\n2 4 8 8\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.250000 0.000000 0.853165 P\n0.750000 0.000000 0.146835 P\n0.250000 0.500000 0.380683 P\n0.750000 0.500000 0.619317 P\n0.250000 0.707143 0.499589 H\n0.750000 0.707143 0.500411 H\n0.750000 0.292857 0.500411 H\n0.250000 0.292857 0.499589 H\n0.074983 0.000000 0.736968 H\n0.574983 0.000000 0.263032 H\n0.425017 0.000000 0.736968 H\n0.925017 0.000000 0.263032 H\n0.047881 0.500000 0.273496 O\n0.250000 0.761762 0.966504 O\n0.750000 0.761762 0.033496 O\n0.750000 0.238238 0.033496 O\n0.250000 0.238238 0.966504 O\n0.452119 0.500000 0.273496 O\n0.547881 0.500000 0.726504 O\n0.952119 0.500000 0.726504 O\n",
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{
"id": "jvasp-10224",
"created_at": "2022-09-04T14:38:16.464113Z",
"updated_at": "2022-09-04T14:38:16.464138Z",
"structure_string": "Zn2 P4 O12\n1.0\n4.868210 0.009051 1.182342\n1.466216 6.449459 0.618833\n0.015121 0.014340 6.642878\nZn P O\n2 4 12\ndirect\n0.750000 0.118041 0.881959 Zn\n0.250001 0.881959 0.118041 Zn\n0.763208 0.622123 0.802793 P\n0.736793 0.197206 0.377876 P\n0.236793 0.377877 0.197206 P\n0.263208 0.802794 0.622123 P\n0.840050 0.051668 0.199876 O\n0.659950 0.800123 0.948331 O\n0.454225 0.358890 0.346185 O\n0.313793 0.892262 0.405722 O\n0.954225 0.346185 0.358890 O\n0.340051 0.199877 0.051668 O\n0.159950 0.948332 0.800123 O\n0.813793 0.405723 0.892262 O\n0.686207 0.107738 0.594277 O\n0.186208 0.594277 0.107737 O\n0.545776 0.641110 0.653815 O\n0.045776 0.653815 0.641110 O\n",
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"density": 3.560276991222876,
"density_atomic": 0.08639439291078428,
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"formula_full": "Zn2 P4 O12",
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"formula_anonymous": "AB2C6",
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{
"id": "jvasp-108954",
"created_at": "2022-09-04T14:38:16.981670Z",
"updated_at": "2022-09-04T14:38:16.981685Z",
"structure_string": "Zn2 Pb4 N4\n1.0\n3.614783 -0.000000 0.000000\n0.000000 6.337174 0.000000\n-0.000000 -0.000000 11.042748\nZn Pb N\n2 4 4\ndirect\n0.749999 0.342638 0.750000 Zn\n0.250000 0.657361 0.250000 Zn\n0.749999 0.737735 0.969171 Pb\n0.749999 0.737735 0.530829 Pb\n0.250000 0.262265 0.030829 Pb\n0.250000 0.262265 0.469171 Pb\n0.749999 0.374965 0.585468 N\n0.749999 0.374965 0.914532 N\n0.250000 0.625034 0.414532 N\n0.250000 0.625034 0.085468 N\n",
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"density": 6.667083930240531,
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"volume": 252.96184746369292,
"volume_molar": 15.233718523360078,
"formula_full": "Zn2 Pb4 N4",
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"spacegroup": 59
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{
"id": "jvasp-79366",
"created_at": "2022-09-04T14:36:38.894944Z",
"updated_at": "2022-09-04T14:36:38.894977Z",
"structure_string": "Zn2 Pd1 Au1\n1.0\n0.000000 3.125584 3.125584\n3.125584 0.000000 3.125584\n3.125584 3.125584 0.000000\nZn Pd Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.499998 0.499998 0.499998 Zn\n0.749999 0.749999 0.749999 Pd\n0.250001 0.250001 0.250001 Au\n",
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{
"id": "jvasp-37635",
"created_at": "2022-09-04T14:37:55.226145Z",
"updated_at": "2022-09-04T14:37:55.226162Z",
"structure_string": "Zn2 Pd1 Pt1\n1.0\n0.000000 3.075551 3.075551\n3.075551 -0.000000 3.075551\n3.075551 3.075551 0.000000\nZn Pd Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pt\n",
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{
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"created_at": "2022-09-04T14:37:34.748590Z",
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"structure_string": "Zn2 Pd1 Rh1\n1.0\n0.000000 3.039728 3.039728\n3.039728 0.000000 3.039728\n3.039728 3.039728 -0.000000\nZn Pd Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Rh\n",
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{
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"created_at": "2022-09-04T14:38:06.253488Z",
"updated_at": "2022-09-04T14:38:06.253521Z",
"structure_string": "Zn2 Pd2\n1.0\n3.426949 0.000000 -0.000000\n0.000000 4.105210 0.000000\n0.000000 0.000000 4.105210\nZn Pd\n2 2\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-100318",
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"updated_at": "2022-09-04T14:36:32.526829Z",
"structure_string": "Zn2 Pd4\n1.0\n2.909936 0.000000 0.000000\n0.000000 2.909936 -0.000000\n0.000000 -0.000000 10.422451\nZn Pd\n2 4\ndirect\n0.500001 0.500001 0.336457 Zn\n0.500001 0.500001 0.663542 Zn\n0.000000 0.000000 0.816819 Pd\n0.000000 0.000000 0.183181 Pd\n0.000000 0.000000 0.500000 Pd\n0.500001 0.500001 0.000000 Pd\n",
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}
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}