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{
"id": "jvasp-38330",
"created_at": "2022-09-04T14:35:53.788590Z",
"updated_at": "2022-09-04T14:35:53.788616Z",
"structure_string": "Rb1 B1 O3\n1.0\n3.681915 -0.000000 0.000000\n0.000000 3.681915 0.000000\n-0.000000 -0.000000 3.681915\nRb B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 B\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
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{
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"structure_string": "Li2 Co3 Sb1 O8\n1.0\n-2.882241 1.664064 4.706682\n-0.000000 3.328127 -4.706682\n-3.004745 -1.734790 -4.756693\nLi Co Sb O\n2 3 1 8\ndirect\n0.875061 0.124937 0.625187 Li\n0.124938 0.875062 0.374812 Li\n0.500000 0.500000 -0.000000 Co\n0.500000 -0.000000 0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.500000 0.500000 0.499999 Sb\n0.744945 0.715287 0.774604 O\n0.744944 0.255054 0.774604 O\n0.265980 0.734020 0.797939 O\n0.284713 0.255054 0.774604 O\n0.715287 0.744945 0.225395 O\n0.734019 0.265980 0.202059 O\n0.255055 0.744946 0.225395 O\n0.255055 0.284713 0.225395 O\n",
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{
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"created_at": "2022-09-04T14:38:08.865340Z",
"updated_at": "2022-09-04T14:38:08.865368Z",
"structure_string": "Li12 Mn4 O12\n1.0\n8.961145 -0.000000 0.000000\n0.000000 8.961145 0.000000\n0.000000 0.000000 3.481018\nLi Mn O\n12 4 12\ndirect\n0.355767 0.094702 0.500000 Li\n0.594702 0.144233 0.000000 Li\n0.172378 0.172378 0.000000 Li\n0.672379 0.327622 0.500000 Li\n0.094702 0.355767 0.500000 Li\n0.855767 0.405298 0.000000 Li\n0.144233 0.594702 0.000000 Li\n0.905299 0.644233 0.500000 Li\n0.327622 0.672379 0.500000 Li\n0.827622 0.827622 0.000000 Li\n0.405298 0.855767 0.000000 Li\n0.644233 0.905299 0.500000 Li\n0.115494 0.884506 0.500000 Mn\n0.615495 0.615495 0.000000 Mn\n0.384506 0.384506 0.000000 Mn\n0.884506 0.115494 0.500000 Mn\n0.102159 0.102159 0.500000 O\n0.678193 0.112524 0.500000 O\n0.387477 0.178192 0.000000 O\n0.887477 0.321808 0.500000 O\n0.178192 0.387477 0.000000 O\n0.602160 0.397841 0.000000 O\n0.397841 0.602160 0.000000 O\n0.821808 0.612524 0.000000 O\n0.112524 0.678193 0.500000 O\n0.612524 0.821808 0.000000 O\n0.321808 0.887477 0.500000 O\n0.897841 0.897841 0.500000 O\n",
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"formula_full": "Li12 Mn4 O12",
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"spacegroup": 136
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{
"id": "jvasp-52777",
"created_at": "2022-09-04T14:37:34.118222Z",
"updated_at": "2022-09-04T14:37:34.118237Z",
"structure_string": "Ti4 H4\n1.0\n4.159603 0.000000 0.000000\n0.000000 4.159603 0.000000\n0.000000 -0.000000 4.616440\nTi H\n4 4\ndirect\n0.749999 0.250000 0.750000 Ti\n0.250000 0.749999 0.750000 Ti\n0.250000 0.250000 0.250000 Ti\n0.749999 0.749999 0.250000 Ti\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
"nsites": 8,
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"elements": [
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"volume": 79.87501650561488,
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"formula_full": "Ti4 H4",
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{
"id": "jvasp-38150",
"created_at": "2022-09-04T14:38:30.750075Z",
"updated_at": "2022-09-04T14:38:30.750099Z",
"structure_string": "Mn6 Be2\n1.0\n2.391684 -4.142519 -0.000000\n2.391684 4.142519 0.000000\n-0.000000 -0.000000 4.031182\nMn Be\n6 2\ndirect\n0.172270 0.827728 0.750000 Mn\n0.655457 0.827728 0.750000 Mn\n0.172271 0.344541 0.750000 Mn\n0.827728 0.172270 0.250000 Mn\n0.344541 0.172271 0.250000 Mn\n0.827728 0.655457 0.250000 Mn\n0.333332 0.666666 0.250000 Be\n0.666666 0.333332 0.750000 Be\n",
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"formula_full": "Mn6 Be2",
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{
"id": "jvasp-46274",
"created_at": "2022-09-04T14:38:11.723130Z",
"updated_at": "2022-09-04T14:38:11.723156Z",
"structure_string": "Li4 Cr2 O6\n1.0\n5.033181 2.868688 -0.006079\n-5.033181 2.868688 0.006079\n-3.307978 0.000000 4.153258\nLi Cr O\n4 2 6\ndirect\n0.260112 0.581212 0.757047 Li\n0.418789 0.739888 0.257047 Li\n0.581211 0.260113 0.742954 Li\n0.739888 0.418789 0.242953 Li\n0.913835 0.913835 0.750000 Cr\n0.086166 0.086166 0.250000 Cr\n0.218096 0.918107 0.729966 O\n0.081893 0.781905 0.229966 O\n0.608327 0.608327 0.750000 O\n0.391674 0.391674 0.250000 O\n0.918107 0.218096 0.770035 O\n0.781905 0.081894 0.270034 O\n",
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"volume": 119.81930332829717,
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{
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"created_at": "2022-09-04T14:37:45.273995Z",
"updated_at": "2022-09-04T14:37:45.274014Z",
"structure_string": "Ti4 P4 N12\n1.0\n-2.662768 4.153779 -0.732406\n0.004911 -0.004341 -6.401242\n-4.852982 -4.144623 0.496599\nTi P N\n4 4 12\ndirect\n0.250000 0.717809 0.717809 Ti\n0.750001 0.896924 0.896924 Ti\n0.750000 0.282191 0.282191 Ti\n0.250000 0.103076 0.103076 Ti\n0.205263 0.613124 0.213556 P\n0.705263 0.786444 0.386876 P\n0.794738 0.386876 0.786443 P\n0.294738 0.213556 0.613123 P\n0.368720 0.385857 0.145981 N\n0.361824 0.026218 0.784912 N\n0.093250 0.420092 0.710157 N\n0.631281 0.614143 0.854019 N\n0.131281 0.145981 0.385856 N\n0.138176 0.784912 0.026219 N\n0.406751 0.710157 0.420092 N\n0.861825 0.215088 0.973781 N\n0.638177 0.973782 0.215087 N\n0.906751 0.579908 0.289843 N\n0.868720 0.854019 0.614143 N\n0.593250 0.289843 0.579908 N\n",
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"formula_full": "Ti4 P4 N12",
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{
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"created_at": "2022-09-04T14:36:54.143039Z",
"updated_at": "2022-09-04T14:36:54.143056Z",
"structure_string": "Co2 Ni1 O6\n1.0\n5.443671 -2.814512 -0.069151\n-0.001295 -1.475687 2.411749\n-3.001251 -3.836961 -2.341796\nCo Ni O\n2 1 6\ndirect\n-0.001557 0.997896 -0.000038 Co\n0.663938 0.665163 0.662529 Co\n0.331191 0.331499 0.331247 Ni\n0.012763 0.490234 0.230366 O\n0.347225 0.823001 0.564182 O\n0.683182 0.155067 0.892127 O\n0.315155 0.840014 0.098312 O\n0.649617 0.172813 0.432124 O\n0.979200 0.508004 0.770365 O\n",
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{
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"created_at": "2022-09-04T14:38:18.841661Z",
"updated_at": "2022-09-04T14:38:18.841683Z",
"structure_string": "Ru1 C1\n1.0\n1.465048 -2.537536 -0.000000\n1.465048 2.537536 0.000000\n0.000000 0.000000 2.686350\nRu C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ru\n0.666668 0.333334 0.500000 C\n",
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{
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"structure_string": "Ru1 C1\n1.0\n1.465048 -2.537536 -0.000000\n1.465048 2.537536 -0.000000\n-0.000000 0.000000 2.686350\nRu C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ru\n0.666668 0.333334 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:38:09.140117Z",
"updated_at": "2022-09-04T14:38:09.140139Z",
"structure_string": "Li8 Mn2 O6 F2\n1.0\n4.056123 3.470151 0.000000\n-4.056123 3.470151 0.000000\n0.000000 0.000000 6.386150\nLi Mn O F\n8 2 6 2\ndirect\n0.168136 0.846363 0.497721 Li\n0.153637 0.831864 0.997721 Li\n0.574045 0.879395 0.240347 Li\n0.120605 0.425954 0.740347 Li\n0.879395 0.574045 0.240347 Li\n0.425954 0.120605 0.740347 Li\n0.831864 0.153637 0.997721 Li\n0.846363 0.168136 0.497721 Li\n0.634338 0.634338 0.779221 Mn\n0.365662 0.365662 0.279221 Mn\n0.331041 0.759011 0.752327 O\n0.240989 0.668959 0.252327 O\n0.783130 0.783130 0.013200 O\n0.216869 0.216869 0.513200 O\n0.668959 0.240989 0.252327 O\n0.759011 0.331041 0.752327 O\n0.208517 0.208517 0.976787 F\n0.791482 0.791482 0.476787 F\n",
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{
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"structure_string": "Li2 Fe2 O6\n1.0\n2.801279 0.000600 -0.000317\n-0.001243 5.853076 0.075302\n-1.399682 -1.401348 6.073763\nLi Fe O\n2 2 6\ndirect\n0.333332 0.166669 0.666669 Li\n0.333330 0.666669 0.666663 Li\n0.001666 0.982467 0.003323 Fe\n0.665006 0.350864 0.330010 Fe\n0.808087 0.407235 0.616160 O\n0.160421 0.120167 0.320825 O\n0.858580 0.926102 0.717173 O\n0.155453 0.542826 0.310914 O\n0.506252 0.213164 0.012510 O\n0.511215 0.790505 0.022415 O\n",
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]
}