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{
"id": "jvasp-48168",
"created_at": "2022-09-04T14:37:40.288161Z",
"updated_at": "2022-09-04T14:37:40.288173Z",
"structure_string": "Li8 Mn4 F16\n1.0\n-2.987644 6.077414 4.208549\n2.987644 -6.077414 4.208549\n5.975288 0.000000 0.000000\nLi Mn F\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.612510 0.887491 0.112510 Li\n0.387490 0.112510 0.387491 Li\n0.500000 0.500000 0.500000 Li\n0.745016 0.245017 0.750000 Li\n0.254984 0.754984 0.250000 Li\n0.612510 0.887491 0.612510 Li\n0.387490 0.112510 0.887491 Li\n0.264205 0.488879 0.887663 Mn\n0.988879 0.764205 0.612338 Mn\n0.011121 0.235795 0.387662 Mn\n0.735796 0.511121 0.112338 Mn\n0.257569 0.220360 0.018605 F\n0.616758 0.367732 0.851369 F\n0.383242 0.632269 0.602342 F\n0.132269 0.883242 0.351369 F\n0.720360 0.757569 0.481395 F\n0.509821 0.009821 0.750000 F\n0.490179 0.990179 0.250000 F\n0.742431 0.779640 0.981395 F\n0.867731 0.116758 0.648632 F\n0.616758 0.367732 0.397659 F\n0.383242 0.632269 0.148631 F\n0.012085 0.512084 0.250000 F\n0.987916 0.487916 0.750000 F\n0.867731 0.116758 0.102342 F\n0.279640 0.242431 0.518605 F\n0.132269 0.883242 0.897658 F\n",
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{
"id": "jvasp-38285",
"created_at": "2022-09-04T14:37:54.668311Z",
"updated_at": "2022-09-04T14:37:54.668323Z",
"structure_string": "Rb1 Te1 O3\n1.0\n4.161307 0.000000 0.000000\n-0.000000 4.161307 -0.000000\n0.000000 -0.000000 4.161307\nRb Te O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Te\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"volume": 72.05917257878019,
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"formula_full": "Rb1 Te1 O3",
"formula_reduced": "RbTeO3",
"formula_anonymous": "ABC3",
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{
"id": "jvasp-35531",
"created_at": "2022-09-04T14:37:54.715942Z",
"updated_at": "2022-09-04T14:37:54.715963Z",
"structure_string": "Cr2 Fe1 Te4\n1.0\n0.000000 4.028170 0.000000\n-0.098139 0.000000 6.902067\n5.883595 -2.014085 -3.369096\nCr Fe Te\n2 1 4\ndirect\n0.251459 0.265134 0.502918 Cr\n0.748539 0.734865 0.497081 Cr\n0.000000 0.000000 0.000000 Fe\n0.119947 0.456630 0.239893 Te\n0.880051 0.543370 0.760106 Te\n0.374178 0.040737 0.748357 Te\n0.625821 0.959262 0.251642 Te\n",
"nsites": 7,
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"elements": [
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"density": 6.859593973545102,
"density_atomic": 0.043143842710593176,
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"formula_full": "Cr2 Fe1 Te4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 12
},
{
"id": "jvasp-40791",
"created_at": "2022-09-04T14:37:54.728336Z",
"updated_at": "2022-09-04T14:37:54.728363Z",
"structure_string": "Hf1 Ge1 Pt1\n1.0\n3.852464 -0.000000 2.224221\n1.284154 3.632138 2.224221\n0.000000 0.000000 4.448441\nHf Ge Pt\n1 1 1\ndirect\n0.249999 0.250000 0.250000 Hf\n0.499999 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "jvasp-40976",
"created_at": "2022-09-04T14:37:53.635251Z",
"updated_at": "2022-09-04T14:37:53.635270Z",
"structure_string": "Pm2 Si1 Ag1\n1.0\n-0.000001 3.654246 3.654246\n3.654245 -0.000002 3.654246\n3.654244 3.654245 0.000000\nPm Si Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500002 0.500001 0.500000 Pm\n0.750002 0.750000 0.749998 Si\n0.250000 0.249999 0.249998 Ag\n",
"nsites": 4,
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"spacegroup": 225
},
{
"id": "jvasp-39233",
"created_at": "2022-09-04T14:37:53.646725Z",
"updated_at": "2022-09-04T14:37:53.646749Z",
"structure_string": "Lu2 Ru1 Au1\n1.0\n0.000000 3.407761 3.407761\n3.407761 0.000000 3.407761\n3.407761 3.407761 0.000000\nLu Ru Au\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Lu\n0.000000 0.000000 0.000000 Lu\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Au\n",
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"formula_full": "Lu2 Ru1 Au1",
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{
"id": "jvasp-39238",
"created_at": "2022-09-04T14:37:53.651038Z",
"updated_at": "2022-09-04T14:37:53.651057Z",
"structure_string": "Hf2 Ir1 Ru1\n1.0\n-0.000000 3.255259 3.255259\n3.255259 -0.000000 3.255259\n3.255259 3.255259 0.000000\nHf Ir Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.250001 0.250001 0.250001 Ir\n0.750000 0.750000 0.750000 Ru\n",
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},
{
"id": "jvasp-12770",
"created_at": "2022-09-04T14:38:03.499172Z",
"updated_at": "2022-09-04T14:38:03.499190Z",
"structure_string": "Li6 Th3 N6\n1.0\n3.210293 -5.560390 0.000000\n3.210293 5.560390 -0.000000\n0.000000 0.000000 5.496962\nLi Th N\n6 3 6\ndirect\n0.310126 0.369036 0.412119 Li\n0.058910 0.689874 0.412119 Li\n0.630963 0.941089 0.412119 Li\n0.369036 0.058911 0.587880 Li\n0.689873 0.630963 0.587880 Li\n0.941089 0.310125 0.587880 Li\n0.666667 0.333333 0.029703 Th\n0.333333 0.666667 0.970296 Th\n0.000000 0.000000 0.000000 Th\n0.670031 0.013036 0.770192 N\n0.986963 0.656995 0.770192 N\n0.343004 0.329968 0.770192 N\n0.329968 0.986963 0.229807 N\n0.656995 0.670031 0.229807 N\n0.013036 0.343005 0.229807 N\n",
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"formula_full": "Li6 Th3 N6",
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"spacegroup": 147
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{
"id": "jvasp-40841",
"created_at": "2022-09-04T14:37:53.657939Z",
"updated_at": "2022-09-04T14:37:53.657961Z",
"structure_string": "Hf1 Ni1 Pb1\n1.0\n3.913706 -0.000205 2.260049\n1.304586 3.689953 2.259681\n0.000204 -0.000306 4.519747\nHf Ni Pb\n1 1 1\ndirect\n0.000036 0.999993 0.999984 Hf\n0.499990 0.499999 0.500008 Ni\n0.249976 0.250004 0.250011 Pb\n",
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{
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"created_at": "2022-09-04T14:37:53.663831Z",
"updated_at": "2022-09-04T14:37:53.663851Z",
"structure_string": "Mg1 Sb1 Pt1\n1.0\n3.890528 0.000000 2.246198\n1.296842 3.668025 2.246198\n-0.000000 -0.000000 4.492394\nMg Sb Pt\n1 1 1\ndirect\n0.500000 0.499999 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pt\n",
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{
"id": "jvasp-41161",
"created_at": "2022-09-04T14:37:41.112578Z",
"updated_at": "2022-09-04T14:37:41.112603Z",
"structure_string": "Mg1 Ti1 Ir2\n1.0\n0.000019 3.095544 3.095544\n3.095544 0.000019 3.095544\n3.095544 3.095544 0.000019\nMg Ti Ir\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.749999 Ti\n0.000002 0.000002 0.000002 Ir\n0.499997 0.499997 0.499997 Ir\n",
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