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{
"id": "jvasp-107351",
"created_at": "2022-09-04T14:36:55.194545Z",
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"structure_string": "Cr1 B2 W1\n1.0\n4.386684 0.004982 0.000000\n-3.305337 2.884054 0.000000\n0.000000 0.000000 3.007179\nCr B W\n1 2 1\ndirect\n0.858568 0.141430 -0.000000 Cr\n0.434909 0.565088 0.500000 B\n0.557193 0.442804 -0.000000 B\n0.149324 0.850673 0.500000 W\n",
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{
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{
"id": "jvasp-14680",
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"structure_string": "Cr1 B2\n1.0\n1.480371 -2.564079 0.000000\n1.480371 2.564079 -0.000000\n-0.000000 -0.000000 3.041200\nCr B\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
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"elements": [
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"volume": 23.08750210698266,
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"formula_full": "Cr1 B2",
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{
"id": "jvasp-78472",
"created_at": "2022-09-04T14:37:11.119323Z",
"updated_at": "2022-09-04T14:37:11.119341Z",
"structure_string": "Cr1 B2\n1.0\n-1.480356 -2.564051 0.000000\n-1.480360 2.564053 0.000000\n0.000000 0.000000 -3.041176\nCr B\n1 2\ndirect\n0.999968 0.000002 0.000000 Cr\n0.333302 0.666668 0.500001 B\n0.666633 0.333333 0.500001 B\n",
"nsites": 3,
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"elements": [
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"volume": 23.086874056355843,
"volume_molar": 4.634413509192235,
"formula_full": "Cr1 B2",
"formula_reduced": "CrB2",
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{
"id": "jvasp-114494",
"created_at": "2022-09-04T14:38:40.901864Z",
"updated_at": "2022-09-04T14:38:40.901883Z",
"structure_string": "Cr1 B1 O4\n1.0\n-2.237731 2.237730 3.663897\n2.237731 -2.237730 3.663897\n2.237730 2.237731 -3.663897\nCr B O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.749999 0.499999 B\n0.590908 0.012194 0.876277 O\n0.285369 0.409090 0.421285 O\n0.135917 0.714630 0.123722 O\n-0.012195 0.864082 0.578713 O\n",
"nsites": 6,
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"elements": [
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"volume": 73.38694519511087,
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"formula_full": "Cr1 B1 O4",
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"spacegroup": 82
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{
"id": "jvasp-114493",
"created_at": "2022-09-04T14:38:42.157541Z",
"updated_at": "2022-09-04T14:38:42.157567Z",
"structure_string": "Cr1 B1 O2\n1.0\n2.458586 0.000000 -0.000000\n0.000000 2.458586 0.000000\n-0.000000 0.000000 5.250838\nCr B O\n1 1 2\ndirect\n0.500000 0.500000 0.411063 Cr\n0.000000 0.000000 0.921318 B\n0.000000 0.000000 0.662205 O\n0.500000 0.500000 0.015415 O\n",
"nsites": 4,
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"density": 4.9600383541134905,
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"volume": 31.73945228943905,
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"formula_full": "Cr1 B1 O2",
"formula_reduced": "CrBO2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
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{
"id": "jvasp-61852",
"created_at": "2022-09-04T14:36:16.558146Z",
"updated_at": "2022-09-04T14:36:16.558169Z",
"structure_string": "Cr1 Au4\n1.0\n-3.265417 3.265417 2.033220\n3.265417 -3.265417 2.033220\n3.265417 3.265417 -2.033220\nCr Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.602291 0.796101 0.398391 Au\n0.397709 0.203900 0.601610 Au\n0.796101 0.397709 0.193810 Au\n0.203900 0.602291 0.806191 Au\n",
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"elements": [
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"volume": 86.72047802578716,
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"formula_full": "Cr1 Au4",
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{
"id": "jvasp-92748",
"created_at": "2022-09-04T14:36:06.874332Z",
"updated_at": "2022-09-04T14:36:06.874356Z",
"structure_string": "Cr1 Au4\n1.0\n0.000000 -0.000000 4.071746\n-3.262752 3.262752 2.035874\n-3.262752 -3.262752 2.035874\nCr Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.602311 0.601638 0.193740 Au\n0.397689 0.398361 0.806260 Au\n0.203949 0.193740 0.398361 Au\n0.796051 0.806260 0.601638 Au\n",
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"formula_full": "Cr1 Au4",
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{
"id": "jvasp-63872",
"created_at": "2022-09-04T14:36:12.270587Z",
"updated_at": "2022-09-04T14:36:12.270609Z",
"structure_string": "Cr1 Au1 S2\n1.0\n7.224190 -1.760754 -0.011437\n7.224197 1.760785 -0.011435\n6.799827 0.000017 3.008635\nCr Au S\n1 1 2\ndirect\n0.667072 0.666998 0.667007 Cr\n0.167077 0.166997 0.167003 Au\n0.059249 0.059167 0.059175 S\n0.274898 0.274825 0.274834 S\n",
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},
{
"id": "jvasp-1534",
"created_at": "2022-09-04T14:36:48.517784Z",
"updated_at": "2022-09-04T14:36:48.517810Z",
"structure_string": "Cr1 Au1 S2\n1.0\n3.404262 -0.011411 6.610724\n1.593201 3.008462 6.610724\n-0.019027 -0.011411 7.435745\nCr Au S\n1 1 2\ndirect\n0.332921 0.332922 0.332922 Cr\n0.832925 0.832926 0.832927 Au\n0.725101 0.725102 0.725103 S\n0.940748 0.940749 0.940751 S\n",
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},
{
"id": "jvasp-36783",
"created_at": "2022-09-04T14:37:59.354247Z",
"updated_at": "2022-09-04T14:37:59.354257Z",
"structure_string": "Cr1 Au1 O2\n1.0\n-2.940193 -0.000000 0.718073\n-1.557784 2.594934 -0.000000\n-2.943444 -0.001952 -5.673673\nCr Au O\n1 1 2\ndirect\n0.499998 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Au\n0.886500 0.886501 0.340496 O\n0.113497 0.113499 0.659504 O\n",
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{
"id": "jvasp-75726",
"created_at": "2022-09-04T14:36:16.636580Z",
"updated_at": "2022-09-04T14:36:16.636603Z",
"structure_string": "Cr1 As1 Pt2\n1.0\n0.000000 3.118245 3.118245\n3.118245 -0.000000 3.118245\n3.118245 3.118245 -0.000000\nCr As Pt\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Cr\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Pt\n",
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