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{
"id": "jvasp-18092",
"created_at": "2022-09-04T14:38:11.639746Z",
"updated_at": "2022-09-04T14:38:11.639762Z",
"structure_string": "Ho1 In3\n1.0\n4.623441 -0.000000 0.000000\n-0.000000 4.623441 0.000000\n0.000000 0.000000 4.623441\nHo In\n1 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n",
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{
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"structure_string": "Sr2 Cl2 F2\n1.0\n4.125880 0.000000 -0.000000\n-0.000000 4.125880 -0.000000\n0.000000 -0.000000 6.980932\nSr Cl F\n2 2 2\ndirect\n0.500000 0.000000 0.797495 Sr\n0.000000 0.500000 0.202505 Sr\n0.000000 0.500000 0.643908 Cl\n0.500000 0.000000 0.356092 Cl\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
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{
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"structure_string": "K4 In4 Br12\n1.0\n4.253700 -7.367624 0.000000\n4.253700 7.367624 0.000000\n0.000000 -0.000000 10.796545\nK In Br\n4 4 12\ndirect\n0.333333 0.666667 0.130003 K\n0.666667 0.333333 0.869998 K\n0.000000 0.000000 0.739282 K\n0.000000 0.000000 0.260718 K\n0.333333 0.666667 0.759123 In\n0.666667 0.333333 0.240877 In\n0.333333 0.666667 0.504026 In\n0.666667 0.333333 0.495975 In\n0.914493 0.612202 0.624428 Br\n0.612202 0.697708 0.375572 Br\n0.302292 0.914493 0.375572 Br\n0.085507 0.387798 0.375572 Br\n0.906122 0.620671 0.117012 Br\n0.620671 0.714549 0.882989 Br\n0.714549 0.093878 0.117012 Br\n0.093877 0.379329 0.882989 Br\n0.697708 0.085507 0.624428 Br\n0.285451 0.906122 0.882989 Br\n0.379329 0.285451 0.117012 Br\n0.387798 0.302291 0.624428 Br\n",
"nsites": 20,
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"elements": [
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"volume": 676.7201466442173,
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"formula_full": "K4 In4 Br12",
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{
"id": "jvasp-109876",
"created_at": "2022-09-04T14:37:26.923034Z",
"updated_at": "2022-09-04T14:37:26.923063Z",
"structure_string": "Na2 Tl1 As1 F6\n1.0\n5.645142 -0.000000 3.259224\n1.881714 5.322291 3.259224\n-0.000000 -0.000000 6.518449\nNa Tl As F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.499999 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.777276 0.222723 0.222723 F\n0.222723 0.222723 0.777277 F\n0.222723 0.777277 0.777277 F\n0.222723 0.777277 0.222723 F\n0.777276 0.222723 0.777276 F\n0.777276 0.777277 0.222723 F\n",
"nsites": 10,
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"elements": [
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"chemical_system": "As-F-Na-Tl",
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"density_atomic": 0.05106016818763067,
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{
"id": "jvasp-109898",
"created_at": "2022-09-04T14:37:26.913485Z",
"updated_at": "2022-09-04T14:37:26.913511Z",
"structure_string": "Rb2 Na1 Sc1 Cl6\n1.0\n6.318418 -0.000000 3.647940\n2.106139 5.957061 3.647940\n-0.000000 -0.000000 7.295880\nRb Na Sc Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.759623 0.240377 0.240377 Cl\n0.240377 0.240377 0.759623 Cl\n0.240377 0.759623 0.759623 Cl\n0.240377 0.759623 0.240377 Cl\n0.759623 0.240377 0.759623 Cl\n0.759623 0.759623 0.240377 Cl\n",
"nsites": 10,
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{
"id": "jvasp-41830",
"created_at": "2022-09-04T14:37:31.152172Z",
"updated_at": "2022-09-04T14:37:31.152197Z",
"structure_string": "Ho2 Tl1 Cd1\n1.0\n-0.000000 3.723225 3.723225\n3.723225 0.000000 3.723225\n3.723225 3.723225 -0.000000\nHo Tl Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.499998 0.499998 0.499998 Ho\n0.749999 0.749999 0.749999 Tl\n0.250000 0.250000 0.250000 Cd\n",
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{
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"created_at": "2022-09-04T14:37:06.564057Z",
"updated_at": "2022-09-04T14:37:06.564075Z",
"structure_string": "Mg2 Ni2 F8\n1.0\n-4.918183 -0.000452 -0.004582\n0.000492 -4.918151 -0.008727\n2.454080 2.449554 5.425644\nMg Ni F\n2 2 8\ndirect\n0.787527 0.787999 0.575663 Mg\n0.210832 0.211298 0.422329 Mg\n0.954943 0.455464 0.910586 Ni\n0.543363 0.043882 0.087402 Ni\n0.580523 0.515273 0.650031 F\n0.892751 0.828257 0.155606 F\n0.262159 0.327661 0.155603 F\n0.483616 0.930017 0.347959 F\n0.068833 0.135138 0.650053 F\n0.170541 0.736672 0.842410 F\n0.671126 0.106100 0.842383 F\n0.863702 0.418250 0.347952 F\n",
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"formula_full": "Mg2 Ni2 F8",
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{
"id": "jvasp-85270",
"created_at": "2022-09-04T14:37:19.799388Z",
"updated_at": "2022-09-04T14:37:19.799416Z",
"structure_string": "Ca4 Cl8\n1.0\n6.239412 -0.000000 0.000000\n0.000000 6.909302 0.000000\n0.000000 0.000000 7.647112\nCa Cl\n4 8\ndirect\n0.000000 0.250000 0.152245 Ca\n0.500000 0.250000 0.652245 Ca\n0.000000 0.750000 0.847754 Ca\n0.500000 0.750000 0.347755 Ca\n0.241265 0.422873 0.893091 Cl\n0.741265 0.577126 0.606908 Cl\n0.758735 0.577126 0.106909 Cl\n0.241265 0.922873 0.106909 Cl\n0.741265 0.077126 0.393091 Cl\n0.258735 0.422873 0.393091 Cl\n0.258735 0.922873 0.606908 Cl\n0.758735 0.077126 0.893091 Cl\n",
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{
"id": "jvasp-31176",
"created_at": "2022-09-04T14:37:26.884711Z",
"updated_at": "2022-09-04T14:37:26.884746Z",
"structure_string": "Cd1 Pb1 F6\n1.0\n5.980304 0.083589 0.056662\n3.584829 4.787486 0.056662\n3.584829 1.825586 4.426112\nCd Pb F\n1 1 6\ndirect\n0.500000 0.500001 0.499999 Cd\n0.000000 0.000000 0.000000 Pb\n0.074613 0.406522 0.759517 F\n0.406520 0.759519 0.074612 F\n0.759517 0.074614 0.406520 F\n0.240482 0.925389 0.593478 F\n0.593479 0.240484 0.925386 F\n0.925386 0.593481 0.240481 F\n",
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{
"id": "jvasp-41826",
"created_at": "2022-09-04T14:37:32.334042Z",
"updated_at": "2022-09-04T14:37:32.334062Z",
"structure_string": "Pr1 Ag1 Hg2\n1.0\n-0.000001 3.625784 3.625783\n3.625782 -0.000000 3.625782\n3.625783 3.625785 -0.000001\nPr Ag Hg\n1 1 2\ndirect\n0.750000 0.749999 0.750000 Pr\n0.249999 0.249999 0.249999 Ag\n0.000000 0.000000 0.000000 Hg\n0.500000 0.499999 0.500000 Hg\n",
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{
"id": "jvasp-17954",
"created_at": "2022-09-04T14:37:31.497544Z",
"updated_at": "2022-09-04T14:37:31.497564Z",
"structure_string": "Ca2 In4\n1.0\n2.461771 -4.263913 0.000000\n2.461771 4.263913 -0.000000\n-0.000000 -0.000000 7.781187\nCa In\n2 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.666667 0.333333 0.950822 In\n0.333333 0.666667 0.450822 In\n0.666667 0.333333 0.549178 In\n0.333333 0.666667 0.049178 In\n",
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{
"id": "jvasp-9093",
"created_at": "2022-09-04T14:37:19.531348Z",
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"structure_string": "Rb8 Te4\n1.0\n5.552510 -0.000000 0.000000\n-0.000000 8.888148 0.000000\n0.000000 0.000000 10.977699\nRb Te\n8 4\ndirect\n0.750000 0.969080 0.179327 Rb\n0.250000 0.030921 0.820673 Rb\n0.750000 0.469080 0.320673 Rb\n0.250000 0.530921 0.679327 Rb\n0.750000 0.847252 0.570974 Rb\n0.250000 0.152748 0.429026 Rb\n0.750000 0.347252 0.929026 Rb\n0.250000 0.652749 0.070974 Rb\n0.750000 0.753451 0.884839 Te\n0.250000 0.246549 0.115161 Te\n0.750000 0.253451 0.615161 Te\n0.250000 0.746549 0.384839 Te\n",
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