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{
"id": "jvasp-23347",
"created_at": "2022-09-04T14:37:28.185714Z",
"updated_at": "2022-09-04T14:37:28.185746Z",
"structure_string": "Sr8 In4 N2\n1.0\n5.164531 0.000000 -0.869763\n-0.146478 5.162453 -0.869763\n-0.017284 -0.017780 15.665399\nSr In N\n8 4 2\ndirect\n0.542270 0.792269 0.584540 Sr\n0.374830 0.624830 0.249660 Sr\n0.707730 0.957730 0.915461 Sr\n0.292270 0.042270 0.084540 Sr\n0.457730 0.207730 0.415461 Sr\n0.875170 0.125170 0.250340 Sr\n0.625170 0.375170 0.750340 Sr\n0.124830 0.874829 0.749660 Sr\n0.785337 0.535337 0.070675 In\n0.035337 0.285337 0.570675 In\n0.964663 0.714662 0.429326 In\n0.214663 0.464663 0.929326 In\n0.625000 0.874999 0.750000 N\n0.375000 0.125000 0.250000 N\n",
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{
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"structure_string": "Rb1 Sb1 Cl1\n1.0\n5.990443 -0.000000 -0.000000\n-2.995221 5.187876 -0.000000\n0.000000 0.000000 3.237895\nRb Sb Cl\n1 1 1\ndirect\n0.333335 0.666668 0.000000 Rb\n0.666667 0.333334 0.000000 Sb\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-37579",
"created_at": "2022-09-04T14:37:59.905066Z",
"updated_at": "2022-09-04T14:37:59.905084Z",
"structure_string": "Zn2 Cu1 Ir1\n1.0\n0.000000 3.010678 3.010678\n3.010678 -0.000000 3.010678\n3.010678 3.010678 0.000000\nZn Cu Ir\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Zn\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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"density": 11.761607431403057,
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"volume": 54.578666789316365,
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"formula_full": "Zn2 Cu1 Ir1",
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"spacegroup": 225
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{
"id": "jvasp-115615",
"created_at": "2022-09-04T14:38:45.202953Z",
"updated_at": "2022-09-04T14:38:45.202973Z",
"structure_string": "Be1 Br3\n1.0\n5.053283 -0.199104 0.664534\n1.252689 -5.580488 0.661743\n0.908522 0.175351 -3.560296\nBe Br\n1 3\ndirect\n0.452298 0.300085 0.074446 Be\n0.808560 -0.006976 0.951650 Br\n0.179524 0.310664 0.629705 Br\n0.501887 0.648892 0.262877 Br\n",
"nsites": 4,
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"elements": [
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"formula_full": "Be1 Br3",
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"spacegroup": 1
},
{
"id": "jvasp-56933",
"created_at": "2022-09-04T14:37:28.718395Z",
"updated_at": "2022-09-04T14:37:28.718406Z",
"structure_string": "Nd1 Ag2\n1.0\n2.408495 -4.171635 0.000000\n2.408495 4.171635 -0.000000\n-0.000000 0.000000 3.472367\nNd Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.333334 0.666668 0.500000 Ag\n0.666668 0.333334 0.500000 Ag\n",
"nsites": 3,
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"elements": [
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{
"id": "jvasp-94101",
"created_at": "2022-09-04T14:36:02.454130Z",
"updated_at": "2022-09-04T14:36:02.454146Z",
"structure_string": "Mg6 Nb1 Ni1\n1.0\n6.243670 -0.189655 0.000000\n-3.286081 5.312348 0.000000\n0.000000 0.000000 4.757366\nMg Nb Ni\n6 1 1\ndirect\n0.178373 0.842903 0.250000 Mg\n0.657097 0.321626 0.250000 Mg\n0.675977 0.824023 0.250000 Mg\n0.320293 0.669072 0.750001 Mg\n0.830928 0.179706 0.750001 Mg\n0.831300 0.668699 0.750001 Mg\n0.308163 0.191837 0.750001 Nb\n0.197870 0.302130 0.250000 Ni\n",
"nsites": 8,
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"spacegroup": 38
},
{
"id": "jvasp-36996",
"created_at": "2022-09-04T14:38:08.820272Z",
"updated_at": "2022-09-04T14:38:08.820304Z",
"structure_string": "Mn1 Tl1 F3\n1.0\n4.260489 -0.001174 -0.013309\n0.001233 4.260543 -0.006457\n0.014177 0.006879 4.260619\nMn Tl F\n1 1 3\ndirect\n0.488007 0.499990 0.497984 Mn\n0.988072 -0.000040 0.997910 Tl\n0.487991 0.000001 0.498134 F\n0.987994 0.499980 0.497974 F\n0.487936 0.500074 0.998004 F\n",
"nsites": 5,
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"elements": [
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"F"
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"volume": 77.33974082984243,
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"formula_full": "Mn1 Tl1 F3",
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{
"id": "jvasp-121022",
"created_at": "2022-09-04T14:38:52.295994Z",
"updated_at": "2022-09-04T14:38:52.296021Z",
"structure_string": "Rb1 Mn1 F3\n1.0\n4.248993 0.000000 0.000000\n-0.000000 4.248993 0.000000\n-0.000000 -0.000000 4.248993\nRb Mn F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
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"volume": 76.71107111560359,
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"formula_full": "Rb1 Mn1 F3",
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"spacegroup": 221
},
{
"id": "jvasp-12421",
"created_at": "2022-09-04T14:37:11.413010Z",
"updated_at": "2022-09-04T14:37:11.413030Z",
"structure_string": "Rb6 In2 S6\n1.0\n7.849482 0.017689 -0.857857\n-1.236694 7.373170 -3.164826\n0.012967 0.034007 8.118365\nRb In S\n6 2 6\ndirect\n0.000000 0.253611 0.746390 Rb\n0.500000 0.323839 0.676161 Rb\n0.353313 0.111586 0.111586 Rb\n0.500000 0.676161 0.323839 Rb\n0.000001 0.746390 0.253610 Rb\n0.646688 0.888415 0.888415 Rb\n0.148366 0.678191 0.678191 In\n0.851635 0.321809 0.321809 In\n0.722075 0.047949 0.347995 S\n0.819890 0.600890 0.600890 S\n0.180110 0.399110 0.399110 S\n0.277926 0.952052 0.652005 S\n0.277926 0.652006 0.952052 S\n0.722075 0.347995 0.047948 S\n",
"nsites": 14,
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],
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"density": 3.2958465442531217,
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"volume": 470.99473968101273,
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"formula_full": "Rb6 In2 S6",
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"spacegroup": 12
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{
"id": "jvasp-109635",
"created_at": "2022-09-04T14:38:28.387597Z",
"updated_at": "2022-09-04T14:38:28.387611Z",
"structure_string": "Li3 Mg5\n1.0\n5.403302 -0.761929 -2.456803\n-2.545178 4.826829 -2.456803\n0.535729 0.761929 5.911391\nLi Mg\n3 5\ndirect\n0.500000 -0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 -0.000000 0.000000 Mg\n-0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 8,
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"elements": [
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"formula_full": "Li3 Mg5",
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},
{
"id": "jvasp-117100",
"created_at": "2022-09-04T14:38:50.412391Z",
"updated_at": "2022-09-04T14:38:50.412420Z",
"structure_string": "Li4 Fe4 F20\n1.0\n4.899276 -0.000000 0.000000\n0.000000 7.371593 0.000000\n-0.000000 -0.000000 10.307715\nLi Fe F\n4 4 20\ndirect\n0.701041 0.250000 -0.000000 Li\n0.701041 0.250000 0.500000 Li\n0.298960 0.750000 -0.000000 Li\n0.298960 0.750000 0.500000 Li\n-0.000247 -0.000142 0.250000 Fe\n-0.000247 0.500142 0.750000 Fe\n0.000247 0.499857 0.250000 Fe\n0.000247 0.000142 0.750000 Fe\n0.843414 0.750182 0.750000 F\n0.761322 0.064219 0.627568 F\n0.761322 0.064219 0.872432 F\n0.760815 0.063983 0.372412 F\n0.761322 0.435781 0.372432 F\n0.760815 0.063983 0.127588 F\n0.843414 0.749817 0.250000 F\n0.761322 0.435781 0.127568 F\n0.156587 0.249817 0.250000 F\n0.238679 0.564219 0.627568 F\n0.238679 0.564219 0.872432 F\n0.238679 0.935781 0.372432 F\n0.760815 0.436017 0.627588 F\n0.238679 0.935781 0.127568 F\n0.239186 0.936017 0.872413 F\n0.239186 0.936017 0.627588 F\n0.239186 0.563983 0.372412 F\n0.239186 0.563983 0.127588 F\n0.156587 0.250183 0.750000 F\n0.760815 0.436017 0.872413 F\n",
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{
"id": "jvasp-10679",
"created_at": "2022-09-04T14:36:41.437636Z",
"updated_at": "2022-09-04T14:36:41.437662Z",
"structure_string": "Rb2 Ag6 Se4\n1.0\n4.406227 0.000000 0.000000\n-2.203114 7.605263 -3.359469\n0.000000 0.045530 8.911661\nRb Ag Se\n2 6 4\ndirect\n0.863635 0.727269 0.952864 Rb\n0.136366 0.272731 0.047136 Rb\n0.311194 0.622386 0.566045 Ag\n0.941037 0.882072 0.594792 Ag\n0.688807 0.377613 0.433955 Ag\n0.408427 0.816851 0.356536 Ag\n0.591574 0.183149 0.643464 Ag\n0.058964 0.117928 0.405208 Ag\n0.480574 0.961144 0.786254 Se\n0.199944 0.399888 0.707754 Se\n0.800057 0.600112 0.292245 Se\n0.519428 0.038856 0.213745 Se\n",
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}