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{
"id": "jvasp-29550",
"created_at": "2022-09-04T14:36:40.900640Z",
"updated_at": "2022-09-04T14:36:40.900666Z",
"structure_string": "C6 N8\n1.0\n4.783064 -0.000000 -0.000000\n-2.391532 4.142255 0.000000\n0.000000 0.000000 6.246551\nC N\n6 8\ndirect\n0.490170 0.980340 0.500000 C\n0.490170 0.509829 0.500000 C\n0.824194 0.175805 0.000000 C\n0.824194 0.648390 0.000000 C\n0.019658 0.509829 0.500000 C\n0.351608 0.175805 0.000000 C\n0.504153 0.495846 0.000000 N\n0.170897 0.341794 0.500000 N\n0.170897 0.829102 0.500000 N\n0.000000 0.000000 0.000000 N\n0.666666 0.333333 0.500000 N\n0.991693 0.495846 0.000000 N\n0.658205 0.829102 0.500000 N\n0.504153 0.008306 0.000000 N\n",
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{
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"structure_string": "Rb4 Fe2 I8\n1.0\n0.000000 7.562748 0.073669\n8.011846 0.000000 0.000000\n0.000000 -3.399544 -9.748732\nRb Fe I\n4 2 8\ndirect\n0.800957 0.258051 0.962630 Rb\n0.702613 0.258302 0.412254 Rb\n0.297387 0.758302 0.587746 Rb\n0.199044 0.758051 0.037369 Rb\n0.198215 0.255085 0.785792 Fe\n0.801786 0.755085 0.214208 Fe\n0.367730 0.252757 0.055059 I\n0.417845 0.254163 0.637728 I\n0.973375 0.512612 0.720982 I\n0.632271 0.752757 0.944940 I\n0.030800 0.500331 0.280418 I\n0.582155 0.754164 0.362272 I\n0.026626 0.012612 0.279017 I\n0.969201 0.000331 0.719582 I\n",
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{
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"created_at": "2022-09-04T14:36:46.284893Z",
"updated_at": "2022-09-04T14:36:46.284926Z",
"structure_string": "Sr2 Lu4 O8\n1.0\n0.000000 3.293932 0.000092\n10.956615 0.000000 0.000000\n0.000000 -1.647024 -5.444744\nSr Lu O\n2 4 8\ndirect\n0.886763 0.250000 0.773605 Sr\n0.113238 0.750000 0.226395 Sr\n0.366583 0.928218 0.733126 Lu\n0.366583 0.571781 0.733126 Lu\n0.633417 0.071781 0.266873 Lu\n0.633417 0.428218 0.266873 Lu\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.447348 0.750000 0.894667 O\n0.263547 0.107072 0.527079 O\n0.263547 0.392928 0.527079 O\n0.736453 0.607072 0.472920 O\n0.736453 0.892928 0.472920 O\n0.552652 0.250000 0.105333 O\n",
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"density_atomic": 0.07124644665366307,
"volume": 196.50102787659802,
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{
"id": "jvasp-59564",
"created_at": "2022-09-04T14:37:03.669006Z",
"updated_at": "2022-09-04T14:37:03.669028Z",
"structure_string": "V4 Cd2 O8\n1.0\n5.350211 -0.000000 3.088946\n1.783404 5.044228 3.088946\n-0.000000 -0.000000 6.177892\nV Cd O\n4 2 8\ndirect\n0.500000 0.000000 0.500000 V\n-0.000000 0.500000 0.500000 V\n0.499999 0.500000 0.000001 V\n0.499999 0.500000 0.500001 V\n0.125000 0.125000 0.125000 Cd\n0.874999 0.875000 0.875001 Cd\n0.732255 0.732256 0.732256 O\n0.267744 0.267745 0.696767 O\n0.267744 0.696767 0.267745 O\n0.696766 0.267745 0.267745 O\n0.732255 0.303233 0.732256 O\n0.303233 0.732256 0.732256 O\n0.267744 0.267745 0.267745 O\n0.732255 0.732256 0.303234 O\n",
"nsites": 14,
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{
"id": "jvasp-53578",
"created_at": "2022-09-04T14:36:46.308018Z",
"updated_at": "2022-09-04T14:36:46.308051Z",
"structure_string": "Tb4 Pb2 S8\n1.0\n6.957101 -0.012538 -2.452029\n-3.489409 6.018758 -2.452029\n0.007239 0.012538 7.376562\nTb Pb S\n4 2 8\ndirect\n0.118796 0.750001 0.868795 Tb\n0.250000 0.618796 0.368795 Tb\n0.381205 0.250000 0.631205 Tb\n0.750000 0.881205 0.131205 Tb\n0.625000 0.375000 0.250000 Pb\n0.875000 0.125000 0.750000 Pb\n0.013378 0.861485 0.496207 S\n0.138515 0.134723 0.151893 S\n0.361485 0.513378 0.996207 S\n0.634723 0.638516 0.651893 S\n0.486622 0.982830 0.848107 S\n0.482830 0.986623 0.348107 S\n0.865277 0.517170 0.003792 S\n0.017170 0.365278 0.503793 S\n",
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"density_atomic": 0.04530963323874005,
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{
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"created_at": "2022-09-04T14:37:03.643669Z",
"updated_at": "2022-09-04T14:37:03.643690Z",
"structure_string": "Lu4 Mn2 S8\n1.0\n6.652515 -0.000000 3.840831\n2.217505 6.272051 3.840831\n0.000000 0.000000 7.681662\nLu Mn S\n4 2 8\ndirect\n0.499999 0.500000 0.000000 Lu\n0.499999 0.500000 0.500000 Lu\n-0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.874999 0.875000 0.875000 Mn\n0.125000 0.125000 0.125000 Mn\n0.745930 0.745931 0.745932 S\n0.254068 0.254069 0.737795 S\n0.254068 0.737795 0.254069 S\n0.737794 0.254069 0.254069 S\n0.745931 0.262205 0.745931 S\n0.262204 0.745931 0.745931 S\n0.254068 0.254069 0.254069 S\n0.745930 0.745931 0.262205 S\n",
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"spacegroup": 227
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{
"id": "jvasp-49812",
"created_at": "2022-09-04T14:36:46.629536Z",
"updated_at": "2022-09-04T14:36:46.629546Z",
"structure_string": "Cd2 Ag4 O8\n1.0\n0.000000 5.959930 0.000000\n2.979965 -2.979965 5.774788\n5.959930 0.000000 0.000000\nCd Ag O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.500000 0.750000 Cd\n0.375000 0.250000 0.375000 Ag\n0.875000 0.250000 0.375000 Ag\n0.375000 0.750000 0.375000 Ag\n0.375000 0.750000 0.875000 Ag\n0.132070 0.264141 0.137774 O\n0.617929 0.235859 0.151914 O\n0.598085 0.735860 0.132071 O\n0.137773 0.735860 0.132071 O\n0.617929 0.235859 0.612227 O\n0.132070 0.264141 0.598086 O\n0.151914 0.764141 0.617930 O\n0.612226 0.764141 0.617930 O\n",
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{
"id": "jvasp-48611",
"created_at": "2022-09-04T14:36:46.343945Z",
"updated_at": "2022-09-04T14:36:46.343955Z",
"structure_string": "Li7 Mn1 O3 F3\n1.0\n5.278955 0.053137 -0.056603\n2.523964 5.006111 -0.064503\n2.111085 1.756440 5.051490\nLi Mn O F\n7 1 3 3\ndirect\n0.552801 0.853576 0.365867 Li\n0.115091 0.778806 0.651349 Li\n0.620591 0.697042 0.004753 Li\n0.397080 0.250688 0.997694 Li\n0.876980 0.223912 0.397628 Li\n0.217390 0.547855 0.333220 Li\n0.479971 0.114134 0.620863 Li\n0.945719 0.076110 0.002412 Mn\n0.229658 0.920999 0.239831 O\n0.768785 0.040624 0.775637 O\n0.571595 0.252582 0.246295 O\n0.442107 0.762605 0.727259 F\n0.892408 0.578521 0.249207 F\n0.154547 0.410079 0.726758 F\n",
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{
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"updated_at": "2022-09-04T14:37:00.272201Z",
"structure_string": "B12 O2\n1.0\n4.588541 -0.004789 2.326002\n1.426639 4.361127 2.326002\n-0.006613 -0.004789 5.144409\nB O\n12 2\ndirect\n0.798668 0.323572 0.798667 B\n0.798668 0.798668 0.323572 B\n0.323573 0.798668 0.798667 B\n0.676428 0.201332 0.201332 B\n0.201333 0.676428 0.201332 B\n0.201333 0.201332 0.676427 B\n0.997540 0.666698 0.997538 B\n0.997539 0.997539 0.666698 B\n0.666699 0.997539 0.997538 B\n0.333301 0.002461 0.002461 B\n0.002461 0.333302 0.002461 B\n0.002461 0.002461 0.333301 B\n0.377759 0.377759 0.377758 O\n0.622242 0.622242 0.622241 O\n",
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{
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"structure_string": "Mn8 As6\n1.0\n3.531685 0.000000 0.000000\n-1.765843 6.333049 -1.450083\n0.000000 -0.141695 9.374795\nMn As\n8 6\ndirect\n0.218121 0.436241 0.165179 Mn\n0.781881 0.563759 0.834822 Mn\n0.344050 0.688097 0.550587 Mn\n0.655952 0.311902 0.449414 Mn\n0.432323 0.864642 0.288561 Mn\n0.567679 0.135358 0.711440 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.062869 0.125736 0.272991 As\n0.937133 0.874263 0.727009 As\n0.186837 0.373673 0.652950 As\n0.813165 0.626326 0.347050 As\n0.362879 0.725756 0.020965 As\n0.637123 0.274244 0.979036 As\n",
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{
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"updated_at": "2022-09-04T14:36:46.620327Z",
"structure_string": "Ca2 Y4 O8\n1.0\n1.654904 5.513106 0.000000\n-1.654904 5.513106 0.000000\n0.000000 0.000000 10.914172\nCa Y O\n2 4 8\ndirect\n0.112631 0.112631 0.250000 Ca\n0.887369 0.887369 0.750000 Ca\n0.367729 0.367729 0.425524 Y\n0.632272 0.632272 0.574476 Y\n0.367729 0.367729 0.074476 Y\n0.632272 0.632272 0.925524 Y\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.267502 0.267502 0.613665 O\n0.467282 0.467282 0.250000 O\n0.532718 0.532718 0.750000 O\n0.732499 0.732499 0.386335 O\n0.267502 0.267502 0.886335 O\n0.732499 0.732499 0.113665 O\n",
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"spacegroup": 63
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{
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"created_at": "2022-09-04T14:36:57.502609Z",
"updated_at": "2022-09-04T14:36:57.502628Z",
"structure_string": "Ca2 Nd4 Te8\n1.0\n8.273805 0.047128 -0.000000\n-2.713503 7.816328 -0.000000\n-2.780151 -3.931728 6.728325\nCa Nd Te\n2 4 8\ndirect\n0.625001 0.375000 0.250000 Ca\n0.875001 0.125000 0.750001 Ca\n0.125446 0.750000 0.875446 Nd\n0.250001 0.625446 0.375446 Nd\n0.374555 0.250000 0.624555 Nd\n0.750001 0.874555 0.124555 Nd\n0.002320 0.857057 0.503049 Te\n-0.000728 0.354009 0.496952 Te\n0.497681 0.000729 0.854738 Te\n0.142943 0.145991 0.145262 Te\n0.357058 0.502320 0.003048 Te\n0.645992 0.642943 0.645263 Te\n0.500730 0.997681 0.354738 Te\n0.854010 0.499272 0.996952 Te\n",
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}
]
}