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{
"id": "jvasp-32062",
"created_at": "2022-09-04T14:38:04.270290Z",
"updated_at": "2022-09-04T14:38:04.270315Z",
"structure_string": "Zn2 B16 H16 N8\n1.0\n6.948853 -0.000000 -0.000000\n-0.000000 6.948853 -0.000000\n-0.000000 -0.000000 9.375213\nZn B H N\n2 16 16 8\ndirect\n0.250000 0.750000 0.750000 Zn\n0.750000 0.250000 0.250000 Zn\n0.250000 0.624906 0.389819 B\n0.250000 0.875094 0.389819 B\n0.624906 0.250000 0.889819 B\n0.875094 0.250000 0.889819 B\n0.750000 0.375094 0.610181 B\n0.375094 0.750000 0.110181 B\n0.124906 0.750000 0.110181 B\n0.750000 0.124906 0.610181 B\n0.250000 0.927008 0.206332 B\n0.572991 0.250000 0.706332 B\n0.927008 0.250000 0.706332 B\n0.750000 0.427008 0.793667 B\n0.750000 0.072992 0.793667 B\n0.427008 0.750000 0.293667 B\n0.072992 0.750000 0.293667 B\n0.250000 0.572991 0.206332 B\n0.492354 0.750000 0.017319 H\n0.250000 0.507646 0.482681 H\n0.250000 -0.007646 0.482681 H\n0.507646 0.250000 0.982680 H\n-0.007646 0.250000 0.982680 H\n0.750000 0.492354 0.517319 H\n0.750000 0.007646 0.517319 H\n0.007646 0.750000 0.017319 H\n0.750000 0.901362 0.805556 H\n0.250000 0.098637 0.194444 H\n0.401363 0.250000 0.694444 H\n0.098637 0.250000 0.694444 H\n0.750000 0.598637 0.805556 H\n0.598637 0.750000 0.305556 H\n0.901362 0.750000 0.305556 H\n0.250000 0.401363 0.194444 H\n0.250000 0.512919 0.874239 N\n0.487081 0.750000 0.625760 N\n0.012919 0.750000 0.625760 N\n0.750000 0.487081 0.125761 N\n0.750000 0.012919 0.125761 N\n0.512919 0.250000 0.374239 N\n0.987081 0.250000 0.374239 N\n0.250000 0.987081 0.874239 N\n",
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{
"id": "jvasp-88978",
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"structure_string": "Ca2 B4 C4\n1.0\n3.788121 0.000000 0.000000\n-0.000000 3.788121 0.000000\n0.000000 0.000000 7.511258\nCa B C\n2 4 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.500000 0.781114 0.500000 B\n0.218885 0.500000 0.000000 B\n0.500000 0.218885 0.500000 B\n0.781114 0.500000 0.000000 B\n0.500000 0.815269 0.000000 C\n0.815269 0.500000 0.500000 C\n0.184731 0.500000 0.500000 C\n0.500000 0.184731 0.000000 C\n",
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"formula_full": "Ca2 B4 C4",
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"spacegroup": 131
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{
"id": "jvasp-78268",
"created_at": "2022-09-04T14:37:08.713567Z",
"updated_at": "2022-09-04T14:37:08.713588Z",
"structure_string": "Ir1 C1\n1.0\n-2.208957 -2.208956 0.000000\n-2.208956 -0.000000 -2.208956\n-0.000000 -2.208956 -2.208956\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 C\n",
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"volume": 21.557147327362188,
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"formula_full": "Ir1 C1",
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},
{
"id": "jvasp-78453",
"created_at": "2022-09-04T14:36:31.791304Z",
"updated_at": "2022-09-04T14:36:31.791323Z",
"structure_string": "Ir1 C1\n1.0\n-2.208957 -2.208956 0.000000\n-2.208956 -0.000000 -2.208956\n-0.000000 -2.208956 -2.208956\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 C\n",
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{
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"created_at": "2022-09-04T14:37:18.964037Z",
"updated_at": "2022-09-04T14:37:18.964060Z",
"structure_string": "Ir1 C1\n1.0\n2.208967 2.208967 -0.000000\n2.208967 0.000000 -2.208967\n0.000000 2.208967 -2.208967\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 C\n",
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{
"id": "jvasp-105360",
"created_at": "2022-09-04T14:36:52.120714Z",
"updated_at": "2022-09-04T14:36:52.120744Z",
"structure_string": "Tm1 Sc1 B2 O6\n1.0\n4.429742 -0.013058 3.982680\n1.766952 4.062102 3.982680\n-0.019984 -0.013058 5.956842\nTm Sc B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.499999 0.500000 Sc\n0.246210 0.246210 0.246210 B\n0.753791 0.753789 0.753790 B\n0.524667 0.955856 0.261440 O\n0.261440 0.524666 0.955856 O\n0.955857 0.261439 0.524667 O\n0.738560 0.475333 0.044144 O\n0.044144 0.738560 0.475333 O\n0.475334 0.044143 0.738560 O\n",
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{
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"created_at": "2022-09-04T14:36:52.012380Z",
"updated_at": "2022-09-04T14:36:52.012406Z",
"structure_string": "Co2\n1.0\n1.243960 -2.154601 0.000000\n1.243960 2.154601 0.000000\n0.000000 0.000000 4.021676\nCo\n2\ndirect\n0.666667 0.333333 0.750001 Co\n0.333333 0.666667 0.250000 Co\n",
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},
{
"id": "jvasp-14776",
"created_at": "2022-09-04T14:38:10.349298Z",
"updated_at": "2022-09-04T14:38:10.349319Z",
"structure_string": "Co2\n1.0\n1.243973 -2.154624 0.000000\n1.243973 2.154624 -0.000000\n0.000000 0.000000 4.021742\nCo\n2\ndirect\n0.666666 0.333332 0.750000 Co\n0.333332 0.666666 0.250000 Co\n",
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{
"id": "jvasp-30116",
"created_at": "2022-09-04T14:37:55.643146Z",
"updated_at": "2022-09-04T14:37:55.643161Z",
"structure_string": "Cr2 O4\n1.0\n-1.267430 -2.473929 0.826417\n3.838268 2.346868 7.837910\n-1.512020 2.473974 0.000241\nCr O\n2 4\ndirect\n0.503086 0.749796 0.246301 Cr\n0.504830 0.249733 0.748205 Cr\n0.767520 0.143418 0.379581 O\n0.765797 0.643478 0.877725 O\n0.242110 0.356055 0.116795 O\n0.240396 0.856111 0.614901 O\n",
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"spacegroup": 166
},
{
"id": "jvasp-119732",
"created_at": "2022-09-04T14:38:50.435128Z",
"updated_at": "2022-09-04T14:38:50.435155Z",
"structure_string": "Li2 Mn2 F8\n1.0\n5.176212 -0.007004 -1.918553\n-2.466885 4.531057 -1.964195\n-0.014521 0.007004 5.520308\nLi Mn F\n2 2 8\ndirect\n0.000062 0.750000 0.250062 Li\n-0.000063 0.249999 0.749937 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.695681 0.945719 0.749962 F\n0.304243 0.554282 0.749962 F\n0.209532 0.000027 0.709560 F\n0.790468 -0.000027 0.290441 F\n0.209532 0.499973 0.209505 F\n0.790467 0.500028 0.790495 F\n0.304318 0.054282 0.250038 F\n0.695756 0.445719 0.250038 F\n",
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{
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"created_at": "2022-09-04T14:38:44.692227Z",
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"structure_string": "Li6 V2 O2 F10\n1.0\n5.053421 -0.124686 -0.223730\n-1.726938 5.341254 0.396744\n-0.151829 0.353622 8.079555\nLi V O F\n6 2 2 10\ndirect\n0.059079 0.919020 0.652684 Li\n0.559082 0.419017 0.152687 Li\n-0.010258 0.389059 0.688208 Li\n0.489748 0.889060 0.188208 Li\n0.484986 0.745627 0.826939 Li\n-0.015013 0.245631 0.326939 Li\n0.522822 0.567041 0.499619 V\n0.022820 0.067037 -0.000381 V\n0.217409 0.072324 0.172574 O\n0.717400 0.572322 0.672575 O\n0.707380 0.751150 0.041950 F\n0.802413 0.054285 0.773581 F\n0.302414 0.554286 0.273579 F\n0.771066 0.214631 0.090579 F\n0.271055 0.714634 0.590577 F\n0.220921 0.905740 0.877110 F\n0.720922 0.405738 0.377112 F\n0.729785 0.896321 0.392547 F\n0.229785 0.396327 0.892545 F\n0.207378 0.251155 0.541951 F\n",
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{
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"created_at": "2022-09-04T14:36:56.593402Z",
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"structure_string": "Al4 Cd2 O8\n1.0\n5.976278 -0.000000 -0.000000\n2.988139 5.175608 0.000000\n2.988139 1.725202 4.879609\nAl Cd O\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cd\n0.395350 0.395350 0.395350 O\n0.395350 0.395350 0.813951 O\n0.395350 0.813951 0.395350 O\n0.813952 0.395350 0.395350 O\n0.436049 0.854650 0.854650 O\n0.854651 0.436048 0.854650 O\n0.854651 0.854650 0.436049 O\n0.854651 0.854650 0.854650 O\n",
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