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{
"id": "jvasp-117772",
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"updated_at": "2022-09-04T14:38:53.986285Z",
"structure_string": "Cd1 S1 Br1\n1.0\n5.001663 -0.000000 -0.000000\n-2.500831 4.331567 0.000000\n0.000000 0.000000 3.913254\nCd S Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.666667 0.333334 0.000000 S\n0.000000 0.000000 0.000000 Br\n",
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{
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{
"id": "jvasp-110604",
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"structure_string": "Cd1 Sb1\n1.0\n3.086100 0.000000 0.000000\n0.000000 3.255881 0.000000\n0.000000 0.000000 5.479362\nCd Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sb\n",
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"volume": 55.05648885283009,
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"formula_full": "Cd1 Sb1",
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"spacegroup": 47
},
{
"id": "jvasp-17376",
"created_at": "2022-09-04T14:38:27.564596Z",
"updated_at": "2022-09-04T14:38:27.564611Z",
"structure_string": "Cd1 Sb1 Au1\n1.0\n4.084425 -0.000000 2.358144\n1.361475 3.850832 2.358144\n-0.000000 -0.000000 4.716287\nCd Sb Au\n1 1 1\ndirect\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sb\n0.249999 0.250000 0.250000 Au\n",
"nsites": 3,
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"density": 9.65115394019464,
"density_atomic": 0.0404422706741889,
"volume": 74.1798111230847,
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"formula_full": "Cd1 Sb1 Au1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-117775",
"created_at": "2022-09-04T14:38:53.693334Z",
"updated_at": "2022-09-04T14:38:53.693364Z",
"structure_string": "Cd1 Sb1 Br1\n1.0\n3.348271 0.000000 0.000000\n0.000000 3.348271 0.000000\n0.000000 0.000000 8.456303\nCd Sb Br\n1 1 1\ndirect\n0.000000 -0.000000 0.639917 Cd\n0.000000 0.000000 -0.006953 Sb\n0.000000 -0.000000 0.315398 Br\n",
"nsites": 3,
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"elements": [
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],
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"density": 5.501241712082692,
"density_atomic": 0.03164459312876936,
"volume": 94.802925346276,
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"formula_full": "Cd1 Sb1 Br1",
"formula_reduced": "CdSbBr",
"formula_anonymous": "ABC",
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"spacegroup": 99
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{
"id": "jvasp-117774",
"created_at": "2022-09-04T14:38:51.464673Z",
"updated_at": "2022-09-04T14:38:51.464694Z",
"structure_string": "Cd1 Sb1 Br1\n1.0\n5.485917 -0.000000 0.000000\n-2.742959 4.750944 -0.000000\n0.000000 -0.000000 3.335609\nCd Sb Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.666667 0.333333 0.000000 Sb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"density": 5.9989906491940985,
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"volume": 86.93692619981955,
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"formula_full": "Cd1 Sb1 Br1",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-32637",
"created_at": "2022-09-04T14:37:34.245954Z",
"updated_at": "2022-09-04T14:37:34.245990Z",
"structure_string": "Cd1 Sb6 S8 I4\n1.0\n7.026764 -0.010127 2.420766\n0.987983 8.865817 -0.022662\n0.049502 -0.168293 8.958589\nCd Sb S I\n1 6 8 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.247185 0.357169 0.847045 Sb\n0.239189 0.066051 0.555436 Sb\n0.752813 0.642832 0.152957 Sb\n0.223607 0.701160 0.209825 Sb\n0.776391 0.298840 0.790176 Sb\n0.760810 0.933949 0.444565 Sb\n0.090949 0.989608 0.276486 S\n0.338285 0.068771 0.807169 S\n0.904122 0.641640 0.390575 S\n0.095877 0.358360 0.609426 S\n0.914263 0.312801 0.022342 S\n0.085736 0.687200 0.977659 S\n0.661713 0.931230 0.192832 S\n0.909050 0.010392 0.723515 S\n0.646938 0.668048 0.845917 I\n0.353061 0.331952 0.154084 I\n0.648918 0.287547 0.463557 I\n0.351080 0.712454 0.536444 I\n",
"nsites": 19,
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"formula_full": "Cd1 Sb6 S8 I4",
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{
"id": "jvasp-78441",
"created_at": "2022-09-04T14:37:14.646638Z",
"updated_at": "2022-09-04T14:37:14.646672Z",
"structure_string": "Cd1 Se1\n1.0\n-3.083946 -3.083946 0.000000\n-3.083946 -0.000000 -3.083946\n-0.000000 -3.083946 -3.083946\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750001 0.750001 0.750001 Se\n",
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{
"id": "jvasp-19612",
"created_at": "2022-09-04T14:38:32.519526Z",
"updated_at": "2022-09-04T14:38:32.519548Z",
"structure_string": "Cd1 Se1\n1.0\n3.506152 0.000000 2.024278\n1.168717 3.305633 2.024278\n-0.000000 0.000000 4.048556\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500001 Se\n",
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},
{
"id": "jvasp-1192",
"created_at": "2022-09-04T14:35:56.740946Z",
"updated_at": "2022-09-04T14:35:56.740975Z",
"structure_string": "Cd1 Se1\n1.0\n3.777046 -0.000000 2.180679\n1.259016 3.561033 2.180679\n0.000000 0.000000 4.361357\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250001 0.250000 0.250000 Se\n",
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{
"id": "jvasp-117777",
"created_at": "2022-09-04T14:38:51.494060Z",
"updated_at": "2022-09-04T14:38:51.494073Z",
"structure_string": "Cd1 Se1 Br1\n1.0\n5.266949 -0.000000 -0.000000\n-2.633475 4.561312 0.000000\n0.000000 -0.000000 3.324909\nCd Se Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.666667 0.333333 0.000000 Se\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "jvasp-117778",
"created_at": "2022-09-04T14:38:52.865885Z",
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"structure_string": "Cd1 Se1 Br1\n1.0\n3.528662 0.000000 0.000000\n0.000000 3.528662 -0.000000\n0.000000 -0.000000 8.345221\nCd Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.654919 Cd\n0.000000 0.000000 -0.050626 Se\n0.000000 0.000000 0.362637 Br\n",
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