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{
"id": "jvasp-117784",
"created_at": "2022-09-04T14:38:28.425223Z",
"updated_at": "2022-09-04T14:38:28.425249Z",
"structure_string": "Sb1 I1 Br1\n1.0\n3.383857 -0.000000 -0.000000\n0.000000 3.383857 -0.000000\n-0.000000 -0.000000 9.682542\nSb I Br\n1 1 1\ndirect\n0.000000 0.000000 0.720483 Sb\n0.000000 0.000000 0.363730 I\n0.000000 0.000000 -0.018920 Br\n",
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{
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"structure_string": "Pb1 I1 Br1\n1.0\n3.315226 0.000000 0.000000\n0.000000 3.315226 -0.000000\n0.000000 -0.000000 10.129580\nPb I Br\n1 1 1\ndirect\n0.000000 0.000000 0.759664 Pb\n0.000000 0.000000 0.419015 I\n0.000000 0.000000 0.037294 Br\n",
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{
"id": "jvasp-11778",
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"updated_at": "2022-09-04T14:37:01.262133Z",
"structure_string": "Na2 V4 O10\n1.0\n3.612601 0.000000 0.000000\n0.000000 4.804266 0.000000\n0.000000 0.000000 11.367453\nNa V O\n2 4 10\ndirect\n0.500000 0.860743 0.000000 Na\n0.000000 0.139258 0.500000 Na\n0.500000 0.611184 0.348575 V\n0.000000 0.388817 0.151425 V\n0.500000 0.611184 0.651424 V\n0.000000 0.388817 0.848575 V\n0.000000 0.049698 0.134966 O\n0.500000 0.510298 0.821800 O\n0.000000 0.489702 0.321800 O\n0.500000 0.510298 0.178200 O\n0.000000 0.514440 0.000000 O\n0.500000 0.950303 0.365034 O\n0.000000 0.049698 0.865034 O\n0.500000 0.950303 0.634966 O\n0.000000 0.489702 0.678199 O\n0.500000 0.485560 0.500000 O\n",
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"elements": [
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"density_atomic": 0.08109793061811255,
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"formula_full": "Na2 V4 O10",
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"formula_anonymous": "AB2C5",
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"spacegroup": 59
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{
"id": "jvasp-117779",
"created_at": "2022-09-04T14:38:47.878966Z",
"updated_at": "2022-09-04T14:38:47.878994Z",
"structure_string": "Cd1 Se1 Br2\n1.0\n4.010707 -0.000000 0.000000\n0.000000 4.010707 0.000000\n0.000000 0.000000 7.458761\nCd Se Br\n1 1 2\ndirect\n0.500001 0.500001 0.429599 Cd\n-0.000000 -0.000000 0.018656 Se\n-0.000000 -0.000000 0.515930 Br\n0.500001 0.500001 0.045816 Br\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Br-Cd-Se",
"density": 4.860367094520703,
"density_atomic": 0.03333891240488859,
"volume": 119.97991870345076,
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"formula_full": "Cd1 Se1 Br2",
"formula_reduced": "CdSeBr2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-117778",
"created_at": "2022-09-04T14:38:52.865885Z",
"updated_at": "2022-09-04T14:38:52.865912Z",
"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",
"nsites": 3,
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"elements": [
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"density": 4.3351178296054345,
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"volume": 103.91014800465396,
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"formula_full": "Cd1 Se1 Br1",
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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",
"nsites": 3,
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"density": 5.639365114359407,
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"volume": 79.87827107432898,
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"formula_full": "Cd1 Se1 Br1",
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"spacegroup": 187
},
{
"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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{
"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",
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"density": 5.9989906491940985,
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"spacegroup": 187
},
{
"id": "jvasp-117773",
"created_at": "2022-09-04T14:38:51.686576Z",
"updated_at": "2022-09-04T14:38:51.686591Z",
"structure_string": "Cd1 S1 Br1\n1.0\n3.457774 0.000000 -0.000000\n-0.000000 3.457774 -0.000000\n-0.000000 0.000000 8.300729\nCd S Br\n1 1 1\ndirect\n0.000000 0.000000 0.657688 Cd\n0.000000 0.000000 -0.062132 S\n0.000000 0.000000 0.364672 Br\n",
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"elements": [
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"density": 3.75425525211956,
"density_atomic": 0.030228166839798128,
"volume": 99.24518466168539,
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{
"id": "jvasp-117772",
"created_at": "2022-09-04T14:38:53.986260Z",
"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",
"nsites": 3,
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"volume": 84.78079816299143,
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"spacegroup": 187
},
{
"id": "jvasp-117771",
"created_at": "2022-09-04T14:38:26.029164Z",
"updated_at": "2022-09-04T14:38:26.029182Z",
"structure_string": "Rb1 Cd1 Br1\n1.0\n6.068825 -0.000000 0.000000\n-3.034412 5.255756 0.000000\n-0.000000 -0.000000 4.231276\nRb Cd Br\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Rb\n0.333333 0.666667 0.000000 Cd\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "jvasp-117770",
"created_at": "2022-09-04T14:38:51.662731Z",
"updated_at": "2022-09-04T14:38:51.662760Z",
"structure_string": "Rb2 Cd1 Br1\n1.0\n-2.568018 9.416116 2.605722\n2.568018 -9.416116 2.605722\n2.568018 9.416116 -2.605722\nRb Cd Br\n2 1 1\ndirect\n0.163281 -0.000000 0.163281 Rb\n0.836720 -0.000000 0.836720 Rb\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Br\n",
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