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{
"id": "jvasp-110807",
"created_at": "2022-09-04T14:38:47.854578Z",
"updated_at": "2022-09-04T14:38:47.854606Z",
"structure_string": "K3 Li1\n1.0\n5.409608 -0.826311 -4.044963\n-1.855096 5.148327 -4.044963\n0.679575 0.826311 6.720399\nK Li\n3 1\ndirect\n0.750000 0.250000 0.500001 K\n0.250000 0.750000 0.500001 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Li\n",
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{
"id": "jvasp-115195",
"created_at": "2022-09-04T14:38:43.560961Z",
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"structure_string": "Li2 I1\n1.0\n4.047666 -0.352743 -0.535023\n-0.207299 -4.204261 1.026835\n-0.696944 -1.049673 -4.190054\nLi I\n2 1\ndirect\n0.470164 0.172507 0.540353 Li\n0.468775 0.672536 0.040466 Li\n0.969456 0.172361 0.040413 I\n",
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{
"id": "jvasp-115192",
"created_at": "2022-09-04T14:38:43.547212Z",
"updated_at": "2022-09-04T14:38:43.547238Z",
"structure_string": "Li2 I1\n1.0\n4.229330 0.000000 0.000000\n0.000000 3.971059 0.000000\n0.000000 0.000000 6.368251\nLi I\n2 1\ndirect\n-0.033343 0.000000 0.731219 Li\n-0.033343 0.000000 0.268782 Li\n0.466687 0.000000 0.000000 I\n",
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"volume": 106.95425946493204,
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"formula_full": "Li2 I1",
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{
"id": "jvasp-110430",
"created_at": "2022-09-04T14:38:37.677716Z",
"updated_at": "2022-09-04T14:38:37.677739Z",
"structure_string": "Hf3 Pb1\n1.0\n4.454366 0.000000 0.000000\n0.000000 4.454366 0.000000\n0.000000 0.000000 4.454366\nHf Pb\n3 1\ndirect\n0.500000 0.000000 0.500000 Hf\n0.000000 0.500000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"formula_full": "Hf3 Pb1",
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"spacegroup": 221
},
{
"id": "jvasp-19749",
"created_at": "2022-09-04T14:38:30.845711Z",
"updated_at": "2022-09-04T14:38:30.845733Z",
"structure_string": "Nb6 Rh2\n1.0\n5.180426 -0.000000 -0.000000\n0.000000 5.180426 0.000000\n-0.000000 -0.000000 5.180426\nNb Rh\n6 2\ndirect\n0.250000 0.000000 0.500000 Nb\n0.750001 0.000000 0.500000 Nb\n0.000000 0.500000 0.250000 Nb\n0.000000 0.500000 0.750001 Nb\n0.500000 0.750001 0.000000 Nb\n0.500000 0.250000 0.000000 Nb\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 8,
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"elements": [
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"density": 9.116309845781206,
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"volume": 139.02612662741433,
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"formula_full": "Nb6 Rh2",
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{
"id": "jvasp-120312",
"created_at": "2022-09-04T14:38:47.490773Z",
"updated_at": "2022-09-04T14:38:47.490796Z",
"structure_string": "Li2 Sb1\n1.0\n4.594683 0.000000 0.000000\n0.000000 3.327031 0.000000\n0.000000 0.000000 5.805688\nLi Sb\n2 1\ndirect\n-0.033338 0.000000 0.768054 Li\n-0.033338 0.000000 0.231947 Li\n0.466675 0.000000 0.000000 Sb\n",
"nsites": 3,
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"density": 2.537915675330116,
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"volume": 88.74953658279426,
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"spacegroup": 47
},
{
"id": "jvasp-115158",
"created_at": "2022-09-04T14:38:43.480086Z",
"updated_at": "2022-09-04T14:38:43.480122Z",
"structure_string": "K2 Te1\n1.0\n12.392498 -0.000000 0.000000\n0.000000 12.392498 0.000000\n-0.000000 -0.000000 14.765665\nK Te\n2 1\ndirect\n0.000000 0.000000 0.205439 K\n0.000000 0.000000 0.794561 K\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
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"volume": 2267.6223353447012,
"volume_molar": 455.19802979885714,
"formula_full": "K2 Te1",
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"spacegroup": 123
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{
"id": "jvasp-114964",
"created_at": "2022-09-04T14:38:43.478504Z",
"updated_at": "2022-09-04T14:38:43.478514Z",
"structure_string": "Ga1 I3\n1.0\n7.323511 -0.142595 -0.714511\n-2.512954 -5.436572 0.729729\n0.761491 -0.892117 -3.997259\nGa I\n1 3\ndirect\n0.574633 0.568001 0.116120 Ga\n0.912640 0.952684 -0.051688 I\n0.236269 0.614547 0.283857 I\n0.574853 0.274629 0.616280 I\n",
"nsites": 4,
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"density": 4.654114555244948,
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"volume": 160.71096810050244,
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"spacegroup": 44
},
{
"id": "jvasp-117969",
"created_at": "2022-09-04T14:38:47.807523Z",
"updated_at": "2022-09-04T14:38:47.807541Z",
"structure_string": "Ca2 C1\n1.0\n3.622229 0.000000 0.573100\n0.000000 3.618801 0.000000\n0.738963 0.000000 7.023448\nCa C\n2 1\ndirect\n0.082269 0.000000 -0.098414 Ca\n-0.148931 0.000000 0.365080 Ca\n0.466662 0.000000 0.133333 C\n",
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"volume": 90.53167970789801,
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"formula_full": "Ca2 C1",
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"spacegroup": 65
},
{
"id": "jvasp-114751",
"created_at": "2022-09-04T14:38:43.436932Z",
"updated_at": "2022-09-04T14:38:43.436963Z",
"structure_string": "Cd1 F3\n1.0\n3.704973 0.215835 0.252793\n0.432929 -4.453833 0.527126\n-1.622875 0.596565 -3.593014\nCd F\n1 3\ndirect\n0.830466 0.565697 0.139812 Cd\n0.887666 0.083379 0.232187 F\n0.178581 0.317421 0.806935 F\n0.522038 0.677821 0.533883 F\n",
"nsites": 4,
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"density": 4.977660386109764,
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},
{
"id": "jvasp-113442",
"created_at": "2022-09-04T14:38:47.819774Z",
"updated_at": "2022-09-04T14:38:47.819796Z",
"structure_string": "B1 O2\n1.0\n4.049678 0.000000 -0.096506\n0.000000 2.811421 0.000000\n0.056902 0.000000 2.374106\nB O\n1 2\ndirect\n0.744711 0.000000 -0.033346 B\n-0.420491 0.000000 -0.533303 O\n0.075781 0.000000 -0.033352 O\n",
"nsites": 3,
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},
{
"id": "jvasp-110831",
"created_at": "2022-09-04T14:38:37.062728Z",
"updated_at": "2022-09-04T14:38:37.062748Z",
"structure_string": "Na1 Li3\n1.0\n4.149668 -0.031966 -3.830210\n-0.816858 4.068601 -3.830210\n0.026393 0.031966 5.647084\nNa Li\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.499999 Li\n0.249999 0.750000 0.499999 Li\n0.500000 0.499999 -0.000001 Li\n",
"nsites": 4,
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}