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{
"id": "jvasp-43067",
"created_at": "2022-09-04T14:38:07.043400Z",
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{
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"structure_string": "Y1 Ge2 Ru2\n1.0\n3.966724 0.000000 -1.565431\n-0.617783 3.918322 -1.565431\n-0.009941 -0.011631 5.783268\nY Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.629903 0.629902 0.259806 Ge\n0.370097 0.370097 0.740195 Ge\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
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{
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"structure_string": "Sr2 Cl4 O4\n1.0\n5.535417 -0.103865 1.142866\n2.466866 4.956430 1.142866\n0.146439 0.088800 7.337381\nSr Cl O\n2 4 4\ndirect\n0.644539 0.355461 0.250000 Sr\n0.355463 0.644538 0.750000 Sr\n0.710704 0.932862 0.731210 Cl\n0.067138 0.289297 0.768791 Cl\n0.289298 0.067137 0.268791 Cl\n0.932864 0.710701 0.231210 Cl\n0.231024 0.593016 0.093425 O\n0.406985 0.768976 0.406576 O\n0.768978 0.406983 0.906576 O\n0.593017 0.231023 0.593425 O\n",
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"spacegroup": 15
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{
"id": "jvasp-49942",
"created_at": "2022-09-04T14:38:05.016566Z",
"updated_at": "2022-09-04T14:38:05.016601Z",
"structure_string": "Hf8 N8 O4\n1.0\n5.424987 -0.002009 0.000241\n2.680381 4.769544 -0.004217\n2.629906 1.433983 9.725389\nHf N O\n8 8 4\ndirect\n0.695548 0.686789 0.962619 Hf\n0.829375 0.816726 0.535829 Hf\n0.413576 0.441537 0.713921 Hf\n0.919638 0.953099 0.213474 Hf\n0.088706 0.067682 0.786387 Hf\n0.564576 0.579999 0.285019 Hf\n0.198052 0.168562 0.465083 Hf\n0.321636 0.309866 0.035881 Hf\n0.921934 0.326788 0.120236 N\n0.575459 0.173918 0.369090 N\n0.622097 0.918782 0.125339 N\n0.167771 0.868857 0.376473 N\n0.417133 0.829633 0.621423 N\n0.386668 0.074156 0.874213 N\n0.087091 0.676028 0.874392 N\n0.112289 0.425671 0.628040 N\n0.867973 0.561303 0.381515 O\n0.682257 0.374773 0.875310 O\n0.811204 0.126721 0.626842 O\n0.317032 0.619098 0.128912 O\n",
"nsites": 20,
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"elements": [
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"volume": 251.72476201888978,
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{
"id": "jvasp-49940",
"created_at": "2022-09-04T14:38:04.812855Z",
"updated_at": "2022-09-04T14:38:04.812880Z",
"structure_string": "Er2 Te1 O2\n1.0\n1.930015 -3.342885 -0.000000\n1.930015 3.342885 0.000000\n0.000000 -0.000000 7.143854\nEr Te O\n2 1 2\ndirect\n0.666668 0.333334 0.694655 Er\n0.333334 0.666668 0.305345 Er\n0.000000 0.000000 0.000000 Te\n0.666668 0.333334 0.380334 O\n0.333334 0.666668 0.619666 O\n",
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{
"id": "jvasp-14404",
"created_at": "2022-09-04T14:38:10.049632Z",
"updated_at": "2022-09-04T14:38:10.049662Z",
"structure_string": "Ca1 Mn2 P2\n1.0\n1.895398 -3.282927 -0.000000\n1.895398 3.282927 0.000000\n-0.000000 -0.000000 6.758522\nCa Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666668 0.616664 Mn\n0.666668 0.333333 0.383336 Mn\n0.666668 0.333333 0.719283 P\n0.333333 0.666668 0.280716 P\n",
"nsites": 5,
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{
"id": "jvasp-54950",
"created_at": "2022-09-04T14:38:17.805486Z",
"updated_at": "2022-09-04T14:38:17.805513Z",
"structure_string": "Hf1 Co2 Si2\n1.0\n3.521092 -0.000000 -1.270615\n-0.458512 3.491111 -1.270615\n-0.011836 -0.013491 5.481281\nHf Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.250000 0.750000 0.500001 Co\n0.749999 0.250000 0.500001 Co\n0.378506 0.378507 0.757014 Si\n0.621493 0.621493 0.242987 Si\n",
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"volume": 67.25805217671365,
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{
"id": "jvasp-12216",
"created_at": "2022-09-04T14:38:10.940221Z",
"updated_at": "2022-09-04T14:38:10.940241Z",
"structure_string": "Li4 Ni2 O4\n1.0\n3.123546 -0.000000 0.000000\n-1.561773 2.705070 -0.000000\n-0.000000 -0.000000 9.942119\nLi Ni O\n4 2 4\ndirect\n0.666666 0.333332 0.176901 Li\n0.333335 0.666667 0.823099 Li\n0.333335 0.666667 0.323100 Li\n0.666666 0.333332 0.676901 Li\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333335 0.666667 0.617603 O\n0.666666 0.333332 0.882397 O\n0.333335 0.666667 0.117603 O\n0.666666 0.333332 0.382397 O\n",
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"formula_full": "Li4 Ni2 O4",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-87107",
"created_at": "2022-09-04T14:38:17.812085Z",
"updated_at": "2022-09-04T14:38:17.812103Z",
"structure_string": "Rb4 Co2 S4\n1.0\n5.572685 0.000000 -2.336900\n-1.259617 6.129590 -3.003745\n0.075452 0.002114 7.992827\nRb Co S\n4 2 4\ndirect\n0.647946 0.809586 0.295893 Rb\n0.352054 0.190413 0.704108 Rb\n0.852054 0.513693 0.704108 Rb\n0.147946 0.486306 0.295893 Rb\n0.250000 -0.000000 0.000000 Co\n0.750001 -0.000000 0.000000 Co\n0.403588 0.727984 0.807178 S\n0.596412 0.272015 0.192823 S\n0.096411 0.920807 0.192823 S\n0.903588 0.079192 0.807178 S\n",
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"volume": 274.1435780183495,
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"formula_full": "Rb4 Co2 S4",
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{
"id": "jvasp-106308",
"created_at": "2022-09-04T14:38:17.387281Z",
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"structure_string": "Tm4 Sn2 Au4\n1.0\n8.210336 -0.000000 -0.000000\n-0.000000 8.210336 0.000000\n-0.000000 0.000000 3.546841\nTm Sn Au\n4 2 4\ndirect\n0.838801 0.338801 0.500000 Tm\n0.161200 0.661200 0.500000 Tm\n0.338801 0.161200 0.500000 Tm\n0.661200 0.838801 0.500000 Tm\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.631251 0.131251 0.000000 Au\n0.368750 0.868750 0.000000 Au\n0.131251 0.368750 0.000000 Au\n0.868750 0.631251 0.000000 Au\n",
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"volume": 239.09119419594208,
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"formula_full": "Tm4 Sn2 Au4",
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{
"id": "jvasp-12860",
"created_at": "2022-09-04T14:38:10.282820Z",
"updated_at": "2022-09-04T14:38:10.282829Z",
"structure_string": "Tl1 Cu2 Te2\n1.0\n3.881011 -0.000000 -1.051985\n-0.285151 3.870522 -1.051985\n0.155032 0.166874 8.256909\nTl Cu Te\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.749999 0.249999 0.500000 Cu\n0.250000 0.749999 0.500000 Cu\n0.638975 0.638975 0.277951 Te\n0.361024 0.361024 0.722050 Te\n",
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{
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"created_at": "2022-09-04T14:38:16.954589Z",
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"structure_string": "Sm1 Mn2 Ge2\n1.0\n3.748340 0.000000 -1.311067\n-0.458576 3.720182 -1.311067\n0.044066 0.049831 6.139765\nSm Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.749999 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.622090 0.622090 0.244181 Ge\n0.377910 0.377909 0.755819 Ge\n",
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