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{
"id": "jvasp-106463",
"created_at": "2022-09-04T14:36:49.872471Z",
"updated_at": "2022-09-04T14:36:49.872503Z",
"structure_string": "Rb3 Y1 Cl6\n1.0\n6.908673 -0.000000 3.988724\n2.302891 6.513559 3.988724\n-0.000000 -0.000000 7.977448\nRb Y Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Y\n0.768244 0.231755 0.231755 Cl\n0.231755 0.231755 0.768244 Cl\n0.231755 0.768244 0.768243 Cl\n0.231755 0.768245 0.231755 Cl\n0.768243 0.231755 0.768244 Cl\n0.768243 0.768244 0.231755 Cl\n",
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"formula_full": "Rb3 Y1 Cl6",
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{
"id": "jvasp-105061",
"created_at": "2022-09-04T14:36:49.843980Z",
"updated_at": "2022-09-04T14:36:49.843999Z",
"structure_string": "Rb2 As1 Au1 Br6\n1.0\n6.657760 -0.000000 3.843859\n2.219253 6.276996 3.843859\n-0.000000 -0.000000 7.687719\nRb As Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.753582 0.246418 0.246418 Br\n0.246418 0.246418 0.753582 Br\n0.246418 0.753582 0.753582 Br\n0.246418 0.753582 0.246418 Br\n0.753582 0.246418 0.753582 Br\n0.753581 0.753582 0.246418 Br\n",
"nsites": 10,
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"spacegroup": 225
},
{
"id": "jvasp-102423",
"created_at": "2022-09-04T14:36:43.507126Z",
"updated_at": "2022-09-04T14:36:43.507143Z",
"structure_string": "K1 Rb2 Tb1 Cl6\n1.0\n6.776136 -0.000000 3.912204\n2.258712 6.388602 3.912204\n-0.000000 -0.000000 7.824408\nTb K Rb Cl\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.762549 0.237452 0.237451 Cl\n0.237452 0.237452 0.762548 Cl\n0.237452 0.762548 0.762548 Cl\n0.237452 0.762548 0.237452 Cl\n0.762549 0.237452 0.762548 Cl\n0.762548 0.762548 0.237451 Cl\n",
"nsites": 10,
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"elements": [
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"K",
"Rb",
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],
"chemical_system": "Cl-K-Rb-Tb",
"density": 2.8516205807616446,
"density_atomic": 0.02952300530473582,
"volume": 338.71890401333525,
"volume_molar": 20.398129180412337,
"formula_full": "K1 Rb2 Tb1 Cl6",
"formula_reduced": "KRb2TbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107308",
"created_at": "2022-09-04T14:37:00.814445Z",
"updated_at": "2022-09-04T14:37:00.814471Z",
"structure_string": "Na5 Br4 Cl1\n1.0\n4.120071 -0.002870 -14.407379\n-0.083715 4.119222 -14.407379\n0.002815 0.002870 14.984911\nNa Br Cl\n5 4 1\ndirect\n0.800144 0.800143 0.000000 Na\n0.199856 0.199856 0.000000 Na\n0.596188 0.596187 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.403813 0.403812 0.000000 Na\n0.901450 0.901449 0.000000 Br\n0.301165 0.301165 0.000000 Br\n0.698836 0.698835 0.000000 Br\n0.098551 0.098551 0.000000 Br\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-Cl-Na",
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"density_atomic": 0.039269026650563844,
"volume": 254.65362533645623,
"volume_molar": 15.33559976820442,
"formula_full": "Na5 Br4 Cl1",
"formula_reduced": "Na5Br4Cl",
"formula_anonymous": "AB4C5",
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"spacegroup": 139
},
{
"id": "jvasp-102259",
"created_at": "2022-09-04T14:36:43.467121Z",
"updated_at": "2022-09-04T14:36:43.467146Z",
"structure_string": "K2 Ag1 Ru1 F6\n1.0\n5.319744 -0.000000 3.071356\n1.773248 5.015503 3.071356\n-0.000000 -0.000000 6.142712\nK Ag Ru F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Ru\n0.231759 0.231759 0.768241 F\n0.231760 0.768240 0.768241 F\n0.768240 0.768240 0.231761 F\n0.231760 0.768240 0.231760 F\n0.768240 0.231759 0.768241 F\n0.768240 0.231759 0.231760 F\n",
"nsites": 10,
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"elements": [
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"density": 4.064093425730381,
"density_atomic": 0.061014719365709846,
"volume": 163.8948782188447,
"volume_molar": 9.869980264769408,
"formula_full": "K2 Ag1 Ru1 F6",
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},
{
"id": "jvasp-79107",
"created_at": "2022-09-04T14:36:43.433499Z",
"updated_at": "2022-09-04T14:36:43.433516Z",
"structure_string": "Tm1 Lu1 Zn2\n1.0\n0.000029 3.484649 3.484682\n3.484805 0.000017 3.484694\n3.484815 3.484670 0.000008\nTm Lu Zn\n1 1 2\ndirect\n0.749999 0.749998 0.749999 Tm\n0.249993 0.250016 0.249997 Lu\n0.500001 0.499995 0.500005 Zn\n0.000005 0.999993 0.000006 Zn\n",
"nsites": 4,
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"Zn"
],
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"volume": 84.631099416955,
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"formula_full": "Tm1 Lu1 Zn2",
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},
{
"id": "jvasp-106580",
"created_at": "2022-09-04T14:37:00.850033Z",
"updated_at": "2022-09-04T14:37:00.850055Z",
"structure_string": "Pm1 Mg3\n1.0\n4.492121 -0.000000 2.593527\n1.497374 4.235212 2.593527\n-0.000000 -0.000000 5.187054\nPm Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Mg\n0.749999 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.0405333614678591,
"volume": 98.68414202882721,
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"formula_full": "Pm1 Mg3",
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},
{
"id": "jvasp-22613",
"created_at": "2022-09-04T14:36:40.306425Z",
"updated_at": "2022-09-04T14:36:40.306444Z",
"structure_string": "Ni1 Pb1 F6\n1.0\n4.636090 0.062565 3.241271\n1.722097 4.304837 3.241271\n0.091083 0.062564 5.656047\nNi Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.499999 0.500000 Pb\n0.383607 0.014168 0.820243 F\n0.014170 0.820242 0.383607 F\n0.179758 0.616392 0.985832 F\n0.985832 0.179756 0.616394 F\n0.616394 0.985831 0.179758 F\n0.820243 0.383606 0.014170 F\n",
"nsites": 8,
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"density": 5.712404145008277,
"density_atomic": 0.07244510055433395,
"volume": 110.42844773194822,
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"formula_full": "Ni1 Pb1 F6",
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"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"id": "jvasp-80022",
"created_at": "2022-09-04T14:36:49.790012Z",
"updated_at": "2022-09-04T14:36:49.790033Z",
"structure_string": "Li1 Sm1 Hg2\n1.0\n0.000000 3.584214 3.584214\n3.584214 0.000000 3.584214\n3.584214 3.584214 0.000000\nLi Sm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Sm\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
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],
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},
{
"id": "jvasp-102946",
"created_at": "2022-09-04T14:36:40.305603Z",
"updated_at": "2022-09-04T14:36:40.305623Z",
"structure_string": "K3 Ge1\n1.0\n5.164507 0.000000 2.981729\n1.721502 4.869144 2.981729\n0.000000 0.000000 5.963458\nK Ge\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750001 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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},
{
"id": "jvasp-22532",
"created_at": "2022-09-04T14:37:00.896421Z",
"updated_at": "2022-09-04T14:37:00.896447Z",
"structure_string": "Br2 F10\n1.0\n4.874894 -0.020302 -0.000000\n-0.605147 4.837231 -0.000000\n-0.000000 0.000000 7.610269\nBr F\n2 10\ndirect\n0.829949 0.170051 0.254737 Br\n0.170049 0.829950 0.754737 Br\n0.098023 0.467556 0.244631 F\n0.901975 0.532444 0.744631 F\n0.338668 0.661332 0.590925 F\n0.661331 0.338669 0.090925 F\n0.355562 0.644437 0.910840 F\n0.644436 0.355563 0.410840 F\n0.006377 0.993623 0.564238 F\n0.993622 0.006378 0.064238 F\n0.467556 0.098024 0.744631 F\n0.532443 0.901976 0.244631 F\n",
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},
{
"id": "jvasp-8770",
"created_at": "2022-09-04T14:37:00.901433Z",
"updated_at": "2022-09-04T14:37:00.901449Z",
"structure_string": "Cu1 I4\n1.0\n6.229173 -0.000000 0.000000\n6.229173 8.122688 0.566268\n3.114586 5.698527 4.010566\nCu I\n1 4\ndirect\n0.359180 0.499986 0.281668 Cu\n0.001451 -0.001227 -0.000448 I\n0.500372 0.001067 -0.002878 I\n0.251603 0.500087 -0.014170 I\n0.762392 0.500087 -0.014170 I\n",
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}
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}