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{
"id": "jvasp-39874",
"created_at": "2022-09-04T14:37:41.365761Z",
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"structure_string": "Ca1 Nd1 Hg2\n1.0\n0.000000 3.779618 3.779618\n3.779618 0.000000 3.779618\n3.779618 3.779618 0.000000\nCa Nd Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Nd\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
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{
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"structure_string": "Mg2 Ag1 Au1\n1.0\n-0.000000 3.294238 3.294238\n3.294238 -0.000000 3.294238\n3.294238 3.294238 0.000000\nMg Ag Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249999 0.249999 0.249999 Ag\n0.749999 0.749999 0.749999 Au\n",
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{
"id": "jvasp-26510",
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"structure_string": "K2 Na1 Cr1 F6\n1.0\n5.073916 -0.000000 2.929426\n1.691305 4.783733 2.929426\n-0.000000 -0.000000 5.858853\nK Na Cr F\n2 1 1 6\ndirect\n0.250001 0.250000 0.250000 K\n0.750002 0.750000 0.750000 K\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n0.232084 0.767916 0.767917 F\n0.232084 0.767916 0.232083 F\n0.767918 0.232083 0.767917 F\n0.232084 0.232083 0.767917 F\n0.767918 0.232083 0.232083 F\n0.767918 0.767916 0.232083 F\n",
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{
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"created_at": "2022-09-04T14:37:50.049801Z",
"updated_at": "2022-09-04T14:37:50.049831Z",
"structure_string": "Ba1 Ag5\n1.0\n2.935027 -5.083615 0.000000\n2.935027 5.083615 -0.000000\n-0.000000 -0.000000 4.608002\nBa Ag\n1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666667 0.000000 Ag\n0.666667 0.333334 0.000000 Ag\n0.000001 0.500000 0.500000 Ag\n0.500001 0.500001 0.500000 Ag\n0.500000 0.000001 0.500000 Ag\n",
"nsites": 6,
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"elements": [
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"volume": 137.5078234386768,
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},
{
"id": "jvasp-39895",
"created_at": "2022-09-04T14:37:39.500374Z",
"updated_at": "2022-09-04T14:37:39.500400Z",
"structure_string": "Ac1 Mg1 Cd2\n1.0\n-0.000000 3.815608 3.815608\n3.815608 0.000000 3.815608\n3.815608 3.815608 0.000000\nAc Mg Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Mg\n0.500001 0.500001 0.500001 Cd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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{
"id": "jvasp-39704",
"created_at": "2022-09-04T14:37:43.017877Z",
"updated_at": "2022-09-04T14:37:43.017895Z",
"structure_string": "Yb1 Cd1 Au2\n1.0\n-0.000000 3.463164 3.463164\n3.463164 0.000000 3.463164\n3.463164 3.463164 -0.000000\nYb Cd Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Cd\n0.499999 0.499999 0.499999 Au\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "jvasp-23372",
"created_at": "2022-09-04T14:37:35.824314Z",
"updated_at": "2022-09-04T14:37:35.824335Z",
"structure_string": "Ca2 In8 Pd2\n1.0\n4.377666 0.000000 -1.174476\n0.000000 7.606844 -0.000000\n-0.005424 -0.000000 8.725537\nCa In Pd\n2 8 2\ndirect\n0.870550 0.250000 0.741098 Ca\n0.129452 0.750000 0.258902 Ca\n0.682140 0.047332 0.364278 In\n0.317861 0.952668 0.635723 In\n0.317861 0.547331 0.635723 In\n0.682140 0.452668 0.364278 In\n0.063110 0.250000 0.126219 In\n0.936892 0.750000 0.873781 In\n0.500000 0.000000 -0.000000 In\n0.500000 0.500000 -0.000000 In\n0.224992 0.250000 0.449982 Pd\n0.775010 0.750000 0.550019 Pd\n",
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"elements": [
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"density": 6.925003419603155,
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"volume": 290.5138638709658,
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"formula_full": "Ca2 In8 Pd2",
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"spacegroup": 63
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{
"id": "jvasp-110077",
"created_at": "2022-09-04T14:37:59.007172Z",
"updated_at": "2022-09-04T14:37:59.007192Z",
"structure_string": "Rb3 Tb1 F6\n1.0\n6.060573 0.131809 -3.315337\n-2.071098 5.697234 -3.315337\n-0.090212 -0.131809 6.907523\nTb Rb F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.499999 Rb\n0.249999 0.749999 0.499999 Rb\n0.499999 0.500000 -0.000001 Rb\n-0.000000 0.311212 0.311212 F\n-0.000000 0.688787 0.688786 F\n0.311213 -0.000000 0.311212 F\n0.688787 -0.000000 0.688787 F\n0.230580 0.230580 -0.000000 F\n0.769419 0.769420 -0.000001 F\n",
"nsites": 10,
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"elements": [
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"density": 3.7374656285991406,
"density_atomic": 0.04252168713799159,
"volume": 235.17411168442,
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"formula_full": "Rb3 Tb1 F6",
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"formula_anonymous": "AB3C6",
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{
"id": "jvasp-98566",
"created_at": "2022-09-04T14:37:41.385096Z",
"updated_at": "2022-09-04T14:37:41.385129Z",
"structure_string": "Hg24 Bi4 Sb16 Br28\n1.0\n13.267156 0.000000 0.000000\n-0.000000 13.267156 -0.000000\n-0.000000 -0.000000 13.267156\nHg Bi Sb Br\n24 4 16 28\ndirect\n0.182630 0.299895 0.445272 Hg\n0.200105 0.945272 0.182630 Hg\n0.700105 0.945272 0.317370 Hg\n0.317370 0.799895 0.445272 Hg\n0.554728 0.682630 0.200105 Hg\n0.445272 0.317370 0.799895 Hg\n0.054728 0.817370 0.799895 Hg\n0.299895 0.054728 0.682630 Hg\n0.182630 0.200105 0.945272 Hg\n0.799895 0.445272 0.317370 Hg\n0.682630 0.299895 0.054728 Hg\n0.817370 0.799895 0.054728 Hg\n0.700105 0.554728 0.817370 Hg\n0.682630 0.200105 0.554728 Hg\n0.054728 0.682630 0.299895 Hg\n0.817370 0.700105 0.554728 Hg\n0.299895 0.445272 0.182630 Hg\n0.945272 0.182630 0.200105 Hg\n0.554728 0.817370 0.700105 Hg\n0.445272 0.182630 0.299895 Hg\n0.799895 0.054728 0.817370 Hg\n0.200105 0.554728 0.682630 Hg\n0.317370 0.700105 0.945272 Hg\n0.945272 0.317370 0.700105 Hg\n0.500000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.740161 0.759839 0.240161 Sb\n0.259839 0.259839 0.259839 Sb\n0.759839 0.259839 0.240161 Sb\n0.133969 0.133969 0.133969 Sb\n0.866032 0.866032 0.866032 Sb\n0.759839 0.240161 0.740161 Sb\n0.240161 0.740161 0.759839 Sb\n0.366032 0.633969 0.133969 Sb\n0.633969 0.133969 0.366032 Sb\n0.366032 0.866032 0.633969 Sb\n0.633969 0.366032 0.866032 Sb\n0.133969 0.366032 0.633969 Sb\n0.740161 0.740161 0.740161 Sb\n0.240161 0.759839 0.259839 Sb\n0.866032 0.633969 0.366032 Sb\n0.259839 0.240161 0.759839 Sb\n0.044555 0.055739 0.707534 Br\n0.292467 0.544555 0.444261 Br\n0.207534 0.044555 0.444261 Br\n0.207534 0.455445 0.944262 Br\n0.944262 0.292467 0.955445 Br\n0.955445 0.555739 0.792467 Br\n0.044555 0.444261 0.207534 Br\n0.555739 0.707534 0.455445 Br\n0.055739 0.792467 0.544555 Br\n0.792467 0.955445 0.555739 Br\n0.555739 0.792467 0.955445 Br\n0.792467 0.544555 0.055739 Br\n0.000000 0.500000 0.500000 Br\n0.055739 0.707534 0.044555 Br\n0.500000 0.000000 0.500000 Br\n0.944262 0.207534 0.455445 Br\n0.955445 0.944262 0.292467 Br\n0.292467 0.955445 0.944262 Br\n0.707534 0.044555 0.055739 Br\n0.455445 0.944262 0.207534 Br\n0.000000 0.000000 0.000000 Br\n0.544555 0.444261 0.292467 Br\n0.444261 0.207534 0.044555 Br\n0.544555 0.055739 0.792467 Br\n0.455445 0.555739 0.707534 Br\n0.707534 0.455445 0.555739 Br\n0.444261 0.292467 0.544555 Br\n0.500000 0.500000 0.000000 Br\n",
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"volume": 2335.2506803508527,
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"formula_full": "Hg24 Bi4 Sb16 Br28",
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"spacegroup": 205
},
{
"id": "jvasp-41206",
"created_at": "2022-09-04T14:37:35.780058Z",
"updated_at": "2022-09-04T14:37:35.780090Z",
"structure_string": "Ca1 Ac1 Zn2\n1.0\n0.000044 3.797330 3.797330\n3.797330 0.000044 3.797330\n3.797330 3.797330 0.000044\nCa Ac Zn\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Ca\n0.250000 0.250000 0.250000 Ac\n0.000010 0.000010 0.000010 Zn\n0.499989 0.499989 0.499989 Zn\n",
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{
"id": "jvasp-109083",
"created_at": "2022-09-04T14:37:50.267861Z",
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"structure_string": "Yb1 Y1 Cd2\n1.0\n4.565481 -0.000000 2.635882\n1.521827 4.304377 2.635882\n-0.000000 -0.000000 5.271764\nYb Y Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.499999 Y\n0.750000 0.750000 0.749999 Cd\n0.250000 0.250000 0.250000 Cd\n",
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{
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"structure_string": "K4 Hg4 F12\n1.0\n6.453195 0.000000 0.000000\n0.000000 6.455041 0.000000\n0.000000 0.000000 9.128934\nK Hg F\n4 4 12\ndirect\n0.000000 0.000000 0.250000 K\n0.500000 0.500000 0.250000 K\n0.500000 0.500000 0.750000 K\n0.000000 0.000000 0.750000 K\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.250000 F\n0.500000 0.000000 0.250000 F\n0.750001 0.750000 0.500000 F\n0.750001 0.750000 0.000000 F\n0.250000 0.750000 0.500000 F\n0.750001 0.250000 0.000000 F\n0.250000 0.250000 0.500000 F\n0.250000 0.250000 0.000000 F\n0.750001 0.250000 0.500000 F\n0.250000 0.750000 0.000000 F\n0.000000 0.500000 0.750000 F\n0.500000 0.000000 0.750000 F\n",
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}
]
}