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{
"id": "jvasp-45239",
"created_at": "2022-09-04T14:38:05.340933Z",
"updated_at": "2022-09-04T14:38:05.340959Z",
"structure_string": "Li5 V4 O8\n1.0\n5.934334 0.018051 0.010923\n2.950549 5.157950 0.007947\n2.953995 1.735802 4.856223\nLi V O\n5 4 8\ndirect\n0.979155 0.980786 0.061065 Li\n0.980849 0.979204 0.478927 Li\n0.561056 0.978965 0.479179 Li\n0.125002 0.125009 0.625005 Li\n0.978935 0.561069 0.480854 Li\n0.500048 0.000506 -0.000548 V\n0.499454 0.499974 0.000051 V\n0.000513 0.500043 -0.000022 V\n0.499980 0.499459 0.500508 V\n0.253944 0.739899 0.752399 O\n0.746151 0.746832 0.760958 O\n0.746060 0.260959 0.246826 O\n0.746824 0.746139 0.246056 O\n0.260959 0.746055 0.246148 O\n0.252398 0.253767 0.753933 O\n0.739896 0.253947 0.753766 O\n0.253766 0.252382 0.239897 O\n",
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{
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"structure_string": "Li4 Ti4 Co4 O16\n1.0\n5.904892 0.000000 0.000000\n0.000000 5.904892 0.000000\n0.000000 0.000000 8.245129\nLi Ti Co O\n4 4 4 16\ndirect\n0.000000 0.227086 0.000000 Li\n0.000000 0.772914 0.500000 Li\n0.227086 0.000000 0.250000 Li\n0.772914 0.000000 0.750000 Li\n0.223329 0.500000 0.250000 Ti\n0.500000 0.223329 0.000000 Ti\n0.500000 0.776671 0.500000 Ti\n0.776671 0.500000 0.750000 Ti\n0.744119 0.744119 0.125000 Co\n0.744119 0.255880 0.375000 Co\n0.255880 0.744119 0.875000 Co\n0.255880 0.255880 0.625000 Co\n0.736538 0.989512 0.495077 O\n0.736538 0.010487 0.004923 O\n0.737053 0.486735 0.987908 O\n0.737053 0.513264 0.512093 O\n0.513264 0.737053 0.737908 O\n0.513264 0.262946 0.762093 O\n0.486735 0.737053 0.262093 O\n0.010487 0.736538 0.245077 O\n0.262946 0.513264 0.487908 O\n0.262946 0.486735 0.012093 O\n0.263462 0.989512 0.504923 O\n0.263462 0.010487 0.995078 O\n0.989512 0.263462 0.745078 O\n0.010487 0.263462 0.254923 O\n0.486735 0.262946 0.237907 O\n0.989512 0.736538 0.754923 O\n",
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"formula_full": "Li4 Ti4 Co4 O16",
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{
"id": "jvasp-64376",
"created_at": "2022-09-04T14:35:43.572786Z",
"updated_at": "2022-09-04T14:35:43.572814Z",
"structure_string": "Ba4 Mg1 V1\n1.0\n0.000000 5.016863 5.016863\n5.016863 0.000000 5.016863\n5.016863 5.016863 -0.000000\nBa Mg V\n4 1 1\ndirect\n0.123244 0.625585 0.625585 Ba\n0.625585 0.625585 0.625585 Ba\n0.625585 0.123244 0.625585 Ba\n0.625585 0.625585 0.123244 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 V\n",
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{
"id": "jvasp-92297",
"created_at": "2022-09-04T14:35:52.380024Z",
"updated_at": "2022-09-04T14:35:52.380034Z",
"structure_string": "Ba1 Mg2 As2\n1.0\n-2.247775 -3.893277 -0.000033\n-2.247782 3.893279 -0.000001\n-0.000059 -0.000032 -7.757320\nBa Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333336 0.666668 0.623592 Mg\n0.666665 0.333332 0.376408 Mg\n0.333330 0.666665 0.273234 As\n0.666671 0.333336 0.726766 As\n",
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{
"id": "jvasp-2763",
"created_at": "2022-09-04T14:36:58.556613Z",
"updated_at": "2022-09-04T14:36:58.556641Z",
"structure_string": "Ba1 Mg2 As2\n1.0\n2.247716 -3.893158 0.000000\n2.247716 3.893158 0.000000\n0.000000 0.000000 7.757581\nBa Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.376427 Mg\n0.333334 0.666668 0.623573 Mg\n0.666668 0.333334 0.726748 As\n0.333334 0.666668 0.273252 As\n",
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{
"id": "jvasp-120078",
"created_at": "2022-09-04T14:38:53.501544Z",
"updated_at": "2022-09-04T14:38:53.501586Z",
"structure_string": "Ga2 Te2 Cl2\n1.0\n4.448088 -0.000000 0.000000\n-0.000000 4.448088 0.000000\n-0.000000 -0.000000 9.513971\nGa Te Cl\n2 2 2\ndirect\n0.000000 0.500001 0.834679 Ga\n0.500001 0.000000 0.165320 Ga\n0.000000 0.500001 0.462226 Te\n0.500001 0.000000 0.537773 Te\n0.000000 0.000000 0.000000 Cl\n0.500001 0.500001 -0.000000 Cl\n",
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{
"id": "jvasp-21313",
"created_at": "2022-09-04T14:37:06.008445Z",
"updated_at": "2022-09-04T14:37:06.008471Z",
"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n5.336013 0.162113 1.274346\n1.500823 7.085619 0.766569\n0.157827 0.080981 7.281115\nZn Si Sn O\n2 4 2 12\ndirect\n0.750000 0.299147 0.700854 Zn\n0.250001 0.700853 0.299149 Zn\n0.219849 0.171027 0.360228 Si\n0.280150 0.639772 0.828974 Si\n0.719848 0.360227 0.171028 Si\n0.780151 0.828973 0.639773 Si\n0.249999 0.154927 0.845075 Sn\n0.749998 0.845075 0.154927 Sn\n0.667791 0.056900 0.656961 O\n0.832209 0.343038 0.943101 O\n0.617840 0.580286 0.237391 O\n0.882158 0.762611 0.419715 O\n0.382158 0.419713 0.762611 O\n0.037318 0.751017 0.731125 O\n0.962680 0.248983 0.268877 O\n0.537319 0.731124 0.751019 O\n0.332207 0.943100 0.343040 O\n0.462682 0.268877 0.248983 O\n0.117842 0.237389 0.580286 O\n0.167792 0.656961 0.056901 O\n",
"nsites": 20,
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"volume": 271.9379783541879,
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"formula_full": "Zn2 Si4 Sn2 O12",
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"spacegroup": 15
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{
"id": "jvasp-115896",
"created_at": "2022-09-04T14:38:44.232367Z",
"updated_at": "2022-09-04T14:38:44.232386Z",
"structure_string": "Zr2 N2 Cl2\n1.0\n3.436807 -0.000000 -0.000000\n-1.718404 2.976362 -0.000000\n-0.000000 0.000000 11.121467\nZr N Cl\n2 2 2\ndirect\n0.000000 0.000000 0.804268 Zr\n0.000000 0.000000 0.195732 Zr\n0.666667 0.333333 0.860669 N\n0.333334 0.666665 0.139331 N\n0.333334 0.666665 0.636910 Cl\n0.666667 0.333333 0.363090 Cl\n",
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],
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{
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"created_at": "2022-09-04T14:36:56.012679Z",
"updated_at": "2022-09-04T14:36:56.012694Z",
"structure_string": "Se8 O16\n1.0\n8.350378 0.000000 0.000000\n-0.000000 8.350378 -0.000000\n-0.000000 0.000000 5.146915\nSe O\n8 16\ndirect\n0.367991 0.290126 0.500000 Se\n0.632009 0.709875 0.500000 Se\n0.709875 0.367991 0.000000 Se\n0.290126 0.632009 0.000000 Se\n0.790126 0.867991 0.000000 Se\n0.867991 0.209875 0.500000 Se\n0.132009 0.790126 0.500000 Se\n0.209875 0.132009 0.000000 Se\n0.866822 0.366822 0.250000 O\n0.633178 0.866822 0.749999 O\n0.633178 0.866822 0.250000 O\n0.866822 0.366822 0.749999 O\n0.133178 0.633178 0.749999 O\n0.366822 0.133178 0.250000 O\n0.173296 0.937298 0.000000 O\n0.326704 0.437298 0.000000 O\n0.062702 0.173296 0.500000 O\n0.826704 0.062702 0.000000 O\n0.133178 0.633178 0.250000 O\n0.673296 0.562702 0.000000 O\n0.437298 0.673296 0.500000 O\n0.562702 0.326704 0.500000 O\n0.937298 0.826704 0.500000 O\n0.366822 0.133178 0.749999 O\n",
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{
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"created_at": "2022-09-04T14:36:13.946726Z",
"updated_at": "2022-09-04T14:36:13.946746Z",
"structure_string": "Ca1 Be1 Cd1\n1.0\n2.235042 -3.871207 0.000000\n2.235042 3.871207 -0.000000\n-0.000000 -0.000000 3.773196\nCa Be Cd\n1 1 1\ndirect\n0.666667 0.333332 0.333297 Ca\n0.000000 0.000000 0.833337 Be\n0.333332 0.666667 0.833369 Cd\n",
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{
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"created_at": "2022-09-04T14:38:41.411854Z",
"updated_at": "2022-09-04T14:38:41.411879Z",
"structure_string": "Li4 Ti4 Co4 O16\n1.0\n5.904391 0.000143 -0.000081\n-0.000378 8.244437 0.000067\n0.000027 -0.000030 5.904419\nLi Ti Co O\n4 4 4 16\ndirect\n0.227047 -0.000001 0.000000 Li\n0.772950 0.500002 -0.000000 Li\n0.000001 0.249999 0.227051 Li\n-0.000000 0.750001 0.772952 Li\n0.500000 0.249998 0.223309 Ti\n0.223310 -0.000002 0.500002 Ti\n0.776691 0.500005 0.500001 Ti\n0.499999 0.750000 0.776688 Ti\n0.744114 0.875000 0.255883 Co\n0.255884 0.625000 0.255881 Co\n0.744121 0.125000 0.744118 Co\n0.255881 0.375001 0.744118 Co\n0.737064 0.737915 0.513279 O\n0.262936 0.762085 0.513275 O\n0.737066 0.262084 0.486723 O\n0.262937 0.237916 0.486724 O\n0.513277 0.487916 0.262935 O\n0.486722 0.012083 0.262936 O\n0.736549 0.754898 0.989537 O\n0.736548 0.245105 0.010468 O\n0.989534 0.495104 0.736550 O\n0.010468 0.004898 0.736546 O\n0.989532 0.504896 0.263454 O\n0.010466 0.995104 0.263451 O\n0.513276 0.512085 0.737064 O\n0.263449 0.254895 0.010468 O\n0.263454 0.745103 0.989534 O\n0.486725 0.987917 0.737065 O\n",
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{
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"structure_string": "Ba1 Cr1 Cd1\n1.0\n0.000000 3.936248 3.936248\n3.936248 0.000000 3.936248\n3.936248 3.936248 0.000000\nBa Cr Cd\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cd\n",
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]
}