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{
"id": "jvasp-112739",
"created_at": "2022-09-04T14:38:43.360506Z",
"updated_at": "2022-09-04T14:38:43.360534Z",
"structure_string": "Cr4 Cu2 O8\n1.0\n5.098527 -0.101976 2.946243\n-1.600326 4.841956 2.946207\n-0.000244 -0.000291 5.892068\nCr Cu O\n4 2 8\ndirect\n0.625001 0.875001 0.749999 Cr\n0.125000 0.375000 0.250001 Cr\n0.625000 0.375000 0.249999 Cr\n0.625000 0.375000 0.750001 Cr\n0.250008 0.749993 0.500000 Cu\n-0.000008 0.000008 -0.000001 Cu\n0.388824 0.165868 0.222654 O\n0.388514 0.611486 0.777340 O\n0.861486 0.138514 0.722660 O\n0.861176 0.584133 0.277345 O\n0.834133 0.611176 0.777345 O\n0.388515 0.611486 0.222660 O\n0.861486 0.138514 0.277339 O\n0.415868 0.138824 0.722654 O\n",
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{
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"structure_string": "Cr4 Cu2 O8\n1.0\n5.112450 -0.009093 -2.944786\n-3.402174 4.820177 -0.010333\n-0.006418 0.009093 5.899904\nCr Cu O\n4 2 8\ndirect\n0.000000 0.500000 0.500000 Cr\n1.000000 0.500000 0.000000 Cr\n0.499999 0.499999 0.499999 Cr\n0.500000 -0.000000 0.499999 Cr\n0.750001 0.875001 0.125001 Cu\n0.250001 0.125001 0.874999 Cu\n0.472620 0.736276 0.708895 O\n0.027382 0.736276 0.263657 O\n0.027381 0.291105 0.263725 O\n0.527381 0.263656 0.736275 O\n0.972620 0.708895 0.736274 O\n0.972621 0.263726 0.736344 O\n0.472620 0.736344 0.263725 O\n0.527381 0.263726 0.291105 O\n",
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{
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"created_at": "2022-09-04T14:37:42.675458Z",
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"structure_string": "Cr4 Cu2 S8\n1.0\n5.902734 0.000000 3.407945\n1.967578 5.565151 3.407945\n0.000000 0.000000 6.815890\nCr Cu S\n4 2 8\ndirect\n0.500000 0.500000 0.499999 Cr\n0.500000 0.500000 -0.000001 Cr\n0.500000 -0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.875000 0.875000 0.874999 Cu\n0.125000 0.125000 0.125000 Cu\n0.742774 0.742774 0.742774 S\n0.257225 0.257225 0.728325 S\n0.257226 0.728325 0.257225 S\n0.728324 0.257225 0.257225 S\n0.742774 0.271675 0.742774 S\n0.271675 0.742774 0.742774 S\n0.257225 0.257225 0.257225 S\n0.742774 0.742774 0.271674 S\n",
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"density_atomic": 0.06252810940132698,
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{
"id": "jvasp-20932",
"created_at": "2022-09-04T14:36:49.879103Z",
"updated_at": "2022-09-04T14:36:49.879136Z",
"structure_string": "Cr4 Cu2 Se8\n1.0\n6.361038 -0.000000 3.672547\n2.120346 5.997244 3.672547\n0.000000 0.000000 7.345095\nCr Cu Se\n4 2 8\ndirect\n0.500001 0.500000 0.500000 Cr\n0.500001 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.875001 0.874999 0.875000 Cu\n0.125000 0.125000 0.125000 Cu\n0.257679 0.257679 0.257679 Se\n0.742322 0.742321 0.273038 Se\n0.273038 0.742321 0.742321 Se\n0.742322 0.273037 0.742321 Se\n0.726963 0.257679 0.257679 Se\n0.257680 0.726962 0.257679 Se\n0.257679 0.257679 0.726962 Se\n0.742322 0.742321 0.742321 Se\n",
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{
"id": "jvasp-23828",
"created_at": "2022-09-04T14:37:39.844744Z",
"updated_at": "2022-09-04T14:37:39.844767Z",
"structure_string": "Cr4 Cu2 Te8\n1.0\n6.727778 0.000000 3.884285\n2.242593 6.343010 3.884285\n0.000000 0.000000 7.768569\nCr Cu Te\n4 2 8\ndirect\n0.500000 0.500000 0.499999 Cr\n0.500000 0.500000 -0.000001 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.875000 0.875000 0.874999 Cu\n0.125000 0.125000 0.125000 Cu\n0.257156 0.257156 0.257156 Te\n0.742843 0.742844 0.271469 Te\n0.271469 0.742844 0.742843 Te\n0.742844 0.271469 0.742843 Te\n0.728531 0.257156 0.257156 Te\n0.257156 0.728531 0.257156 Te\n0.257156 0.257156 0.728530 Te\n0.742843 0.742844 0.742843 Te\n",
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"density": 6.7914283485031115,
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{
"id": "jvasp-10329",
"created_at": "2022-09-04T14:37:20.138730Z",
"updated_at": "2022-09-04T14:37:20.138757Z",
"structure_string": "Cr4 Cu3 O12\n1.0\n5.838983 -0.000053 -2.065728\n-2.919563 5.056650 -2.065800\n0.000034 -0.000028 6.197281\nCr Cu O\n4 3 12\ndirect\n0.000001 0.000001 0.500001 Cr\n0.999999 0.500000 0.999999 Cr\n0.500000 0.500000 0.500000 Cr\n0.500001 1.000000 0.000000 Cr\n0.500001 0.500001 0.000001 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.999999 0.499999 Cu\n0.692570 0.507367 0.814130 O\n0.183853 0.304837 0.492610 O\n0.507366 0.814796 0.693237 O\n0.695163 0.879020 0.187778 O\n0.120981 0.816146 0.308760 O\n0.816146 0.695163 0.507389 O\n0.307430 0.492633 0.185869 O\n0.879018 0.183854 0.691240 O\n0.185202 0.692570 0.878439 O\n0.814797 0.307430 0.121559 O\n0.492633 0.185203 0.306762 O\n0.304837 0.120981 0.812222 O\n",
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"density": 5.359879902290818,
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{
"id": "jvasp-53381",
"created_at": "2022-09-04T14:36:36.632922Z",
"updated_at": "2022-09-04T14:36:36.632947Z",
"structure_string": "Cr4 Cu3 Se8\n1.0\n6.474886 -0.002112 3.734707\n2.156269 6.098850 3.734767\n-0.003091 -0.002112 7.474768\nCr Cu Se\n4 3 8\ndirect\n0.494527 0.996216 0.494527 Cr\n0.494527 0.514730 0.494527 Cr\n0.481555 0.510473 -0.002500 Cr\n-0.002500 0.510473 0.481555 Cr\n0.138068 0.111932 0.138068 Cu\n0.904061 0.345940 0.904060 Cu\n0.869115 0.880886 0.869115 Cu\n0.257308 0.261704 0.257308 Se\n0.283290 0.247075 0.722560 Se\n0.257308 0.723681 0.257308 Se\n0.722560 0.247075 0.283289 Se\n0.266738 0.747309 0.738646 Se\n0.738646 0.747309 0.266738 Se\n0.737401 0.277612 0.737401 Se\n0.737401 0.747589 0.737401 Se\n",
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{
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"created_at": "2022-09-04T14:36:49.787685Z",
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"structure_string": "Cr4 Cu3 Te8\n1.0\n6.929265 -0.026511 4.031363\n2.284759 6.541811 4.031363\n-0.000000 -0.000000 8.062725\nCr Cu Te\n4 3 8\ndirect\n0.489847 0.000085 0.505033 Cr\n0.494314 0.494315 0.995796 Cr\n0.494314 0.494315 0.515574 Cr\n0.000085 0.489847 0.505033 Cr\n0.126479 0.126479 0.123521 Cu\n0.897570 0.897571 0.352429 Cu\n0.871765 0.871766 0.878233 Cu\n0.254351 0.254351 0.261908 Te\n0.281594 0.722285 0.248060 Te\n0.254351 0.254351 0.729390 Te\n0.722284 0.281594 0.248060 Te\n0.267275 0.740288 0.746218 Te\n0.740288 0.267275 0.746218 Te\n0.738838 0.738839 0.272084 Te\n0.738838 0.738839 0.750238 Te\n",
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{
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"created_at": "2022-09-04T14:36:36.979884Z",
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"structure_string": "Cr4 F10\n1.0\n4.735514 -0.290811 1.983051\n-0.705039 4.691757 1.983051\n-0.136611 -0.149167 7.228574\nCr F\n4 10\ndirect\n0.000000 -0.000000 0.500000 Cr\n0.499999 0.500000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.688706 0.185634 0.547175 F\n0.314366 0.811293 0.952824 F\n0.311293 0.814367 0.452824 F\n0.685633 0.188707 0.047175 F\n0.161389 0.338611 0.750000 F\n0.838610 0.661389 0.250000 F\n0.872882 0.820404 0.841283 F\n0.679596 0.627118 0.658716 F\n0.127118 0.179596 0.158716 F\n0.320403 0.372882 0.341283 F\n",
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{
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"structure_string": "Cr4 Fe1 Cu1 S8\n1.0\n5.992025 0.000000 3.459497\n1.997342 5.649336 3.459497\n0.000000 0.000000 6.918995\nCr Fe Cu S\n4 1 1 8\ndirect\n0.624235 0.624235 0.624235 Cr\n0.624235 0.624235 0.127295 Cr\n0.624235 0.127295 0.624235 Cr\n0.127294 0.624235 0.624235 Cr\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Cu\n0.871590 0.385233 0.871590 S\n0.385233 0.871590 0.871590 S\n0.871590 0.871590 0.385233 S\n0.871590 0.871590 0.871590 S\n0.383024 0.850930 0.383024 S\n0.850930 0.383024 0.383024 S\n0.383024 0.383024 0.383024 S\n0.383024 0.383024 0.850930 S\n",
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{
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{
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"created_at": "2022-09-04T14:38:31.333364Z",
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"structure_string": "Cr4 Fe2 S8\n1.0\n6.098815 0.000000 3.521152\n2.032938 5.750017 3.521152\n-0.000000 -0.000000 7.042304\nCr Fe S\n4 2 8\ndirect\n0.500000 0.500000 0.499999 Cr\n0.500000 0.500000 -0.000000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.000000 0.500000 0.499999 Cr\n0.875000 0.875000 0.874999 Fe\n0.125000 0.125000 0.125000 Fe\n0.742081 0.742081 0.742080 S\n0.257918 0.257918 0.726244 S\n0.257918 0.726245 0.257917 S\n0.726244 0.257918 0.257918 S\n0.742081 0.273756 0.742081 S\n0.273755 0.742081 0.742080 S\n0.257918 0.257918 0.257918 S\n0.742081 0.742081 0.273755 S\n",
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}
]
}