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{
"id": "jvasp-118617",
"created_at": "2022-09-04T14:38:27.583458Z",
"updated_at": "2022-09-04T14:38:27.583477Z",
"structure_string": "Li2 O1\n1.0\n2.983388 0.000000 0.000000\n0.000000 3.705797 0.000000\n0.000000 0.000000 5.261135\nLi O\n2 1\ndirect\n-0.033331 0.000000 0.810721 Li\n-0.033331 0.000000 0.189278 Li\n0.466662 0.000000 0.000000 O\n",
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{
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"structure_string": "Rb1 Se1 Br1\n1.0\n7.476075 0.000000 0.000000\n0.000000 7.476075 -0.000000\n0.000000 -0.000000 8.527252\nRb Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.658819 Rb\n0.000000 0.000000 0.007928 Se\n0.000000 0.000000 0.286721 Br\n",
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{
"id": "jvasp-117560",
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"updated_at": "2022-09-04T14:38:51.698889Z",
"structure_string": "Ba1 Se1 Cl1\n1.0\n7.620151 -0.000000 0.000000\n-0.000000 7.620151 0.000000\n-0.000000 -0.000000 8.511984\nBa Se Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.005524 Ba\n0.000000 0.000000 0.663939 Se\n0.000000 0.000000 0.325266 Cl\n",
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"volume": 494.26283208174186,
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"formula_reduced": "BaSeCl",
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},
{
"id": "jvasp-115274",
"created_at": "2022-09-04T14:38:43.961088Z",
"updated_at": "2022-09-04T14:38:43.961115Z",
"structure_string": "B1 As1 O1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nB As O\n1 1 1\ndirect\n0.273101 0.000567 0.000000 B\n-0.041341 -0.063501 0.000000 As\n0.000649 0.275095 0.000000 O\n",
"nsites": 3,
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"elements": [
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"density": 0.8454692192091305,
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"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "B1 As1 O1",
"formula_reduced": "BAsO",
"formula_anonymous": "ABC",
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"spacegroup": 6
},
{
"id": "jvasp-109164",
"created_at": "2022-09-04T14:38:18.609896Z",
"updated_at": "2022-09-04T14:38:18.609915Z",
"structure_string": "Li4 Mg1\n1.0\n3.085169 0.022078 12.272568\n1.537591 2.674803 12.272568\n0.037844 0.022078 12.654357\nLi Mg\n4 1\ndirect\n0.599530 0.599531 0.599531 Li\n0.200170 0.200170 0.200170 Li\n0.799829 0.799830 0.799831 Li\n0.400469 0.400470 0.400470 Li\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 5,
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"elements": [
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"density": 0.8448102956869359,
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"volume": 102.34559060207775,
"volume_molar": 12.326791055420909,
"formula_full": "Li4 Mg1",
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"spacegroup": 166
},
{
"id": "jvasp-80320",
"created_at": "2022-09-04T14:37:14.131274Z",
"updated_at": "2022-09-04T14:37:14.131295Z",
"structure_string": "Cd1 Cu2 Rh1\n1.0\n-8.539961 0.063886 -4.826220\n-8.618654 0.042969 4.946275\n-5.774601 8.087167 0.020231\nCd Cu Rh\n1 2 1\ndirect\n0.500000 -0.000000 0.000000 Cd\n0.757457 0.000118 0.000119 Cu\n0.242542 0.999881 0.999882 Cu\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"density": 0.8423680200648728,
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"volume": 674.9813352863492,
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"formula_full": "Cd1 Cu2 Rh1",
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"spacegroup": 12
},
{
"id": "jvasp-5281",
"created_at": "2022-09-04T14:35:42.952146Z",
"updated_at": "2022-09-04T14:35:42.952162Z",
"structure_string": "Si4 H16\n1.0\n0.000000 7.393492 0.065426\n4.740377 0.000000 0.000000\n0.000000 -1.824042 -7.267587\nSi H\n4 16\ndirect\n0.248508 0.063323 0.846100 Si\n0.751492 0.563323 0.653900 Si\n0.751492 0.936678 0.153899 Si\n0.248508 0.436677 0.346100 Si\n0.589230 0.089986 0.193884 H\n0.410769 0.589986 0.306116 H\n0.300602 0.365469 0.888371 H\n0.699399 0.865469 0.611630 H\n0.699398 0.634532 0.111629 H\n0.300601 0.134532 0.388370 H\n0.085285 0.046200 0.681317 H\n0.914715 0.953800 0.318683 H\n0.589231 0.410015 0.693884 H\n0.085285 0.453800 0.181317 H\n0.198136 0.568988 0.508162 H\n0.801864 0.068987 0.991838 H\n0.801864 0.431013 0.491838 H\n0.198136 0.931013 0.008162 H\n0.914715 0.546201 0.818683 H\n0.410770 0.910015 0.806116 H\n",
"nsites": 20,
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"density": 0.8393836025485371,
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"volume": 254.14823344284048,
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"formula_full": "Si4 H16",
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{
"id": "jvasp-77247",
"created_at": "2022-09-04T14:38:03.802874Z",
"updated_at": "2022-09-04T14:38:03.802900Z",
"structure_string": "Rb2 Au1 Br1\n1.0\n-11.047402 0.000025 -6.378240\n-9.833753 0.067703 4.276124\n-6.992303 8.104574 -0.645441\nRb Au Br\n2 1 1\ndirect\n0.751764 -0.000000 0.000000 Rb\n0.248236 -0.000000 0.000000 Rb\n0.500000 -0.000000 0.000000 Au\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"density": 0.8367666177816834,
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"formula_full": "Rb2 Au1 Br1",
"formula_reduced": "Rb2AuBr",
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"spacegroup": 71
},
{
"id": "jvasp-114262",
"created_at": "2022-09-04T14:38:40.063569Z",
"updated_at": "2022-09-04T14:38:40.063593Z",
"structure_string": "V1 Cu1 O1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 9.313520\nV Cu O\n1 1 1\ndirect\n0.000000 0.000000 0.022450 V\n0.000000 0.000000 0.228387 Cu\n0.000000 0.000000 0.823983 O\n",
"nsites": 3,
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"elements": [
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"volume": 260.805111914019,
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"formula_full": "V1 Cu1 O1",
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},
{
"id": "jvasp-81252",
"created_at": "2022-09-04T14:37:13.052911Z",
"updated_at": "2022-09-04T14:37:13.052933Z",
"structure_string": "Zr2 Cu1 Pt1\n1.0\n-8.797051 -0.000000 -5.078980\n-9.249387 0.238622 5.862450\n-6.127967 9.067333 0.455991\nZr Cu Pt\n2 1 1\ndirect\n0.738069 -0.000000 0.000000 Zr\n0.261931 -0.000000 0.000000 Zr\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.000000 Pt\n",
"nsites": 4,
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},
{
"id": "jvasp-2002",
"created_at": "2022-09-04T14:35:44.345157Z",
"updated_at": "2022-09-04T14:35:44.345185Z",
"structure_string": "Li1 H1\n1.0\n2.449180 0.000000 1.414034\n0.816393 2.309109 1.414034\n0.000000 0.000000 2.828070\nLi H\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.500000 0.499999 H\n",
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},
{
"id": "jvasp-116271",
"created_at": "2022-09-04T14:38:42.310336Z",
"updated_at": "2022-09-04T14:38:42.310360Z",
"structure_string": "Li2 H2\n1.0\n3.975382 -0.226086 -0.373735\n-0.171359 -3.955297 0.570059\n-0.115442 1.701809 -2.258146\nLi H\n2 2\ndirect\n0.974338 0.124189 0.866716 Li\n0.474268 0.624171 0.866722 Li\n0.974308 0.624092 0.866544 H\n0.474247 0.124113 0.866539 H\n",
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}