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{
"id": "jvasp-93531",
"created_at": "2022-09-04T14:36:12.739218Z",
"updated_at": "2022-09-04T14:36:12.739240Z",
"structure_string": "Ca4 Mg2\n1.0\n3.780936 -0.000000 -0.000000\n-1.890468 3.274386 0.000000\n-0.000000 0.000000 17.156790\nCa Mg\n4 2\ndirect\n0.333333 0.666668 0.907306 Ca\n0.333333 0.666668 0.592694 Ca\n0.666668 0.333333 0.407306 Ca\n0.666668 0.333333 0.092694 Ca\n0.666668 0.333333 0.750000 Mg\n0.333333 0.666668 0.250000 Mg\n",
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{
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"structure_string": "Ba1 Sn2 Te1\n1.0\n4.493838 0.000000 0.000000\n0.000000 4.496679 0.000000\n0.000000 0.000000 7.008076\nBa Sn Te\n1 2 1\ndirect\n0.500000 0.500000 0.704528 Ba\n0.000000 0.000000 0.074962 Sn\n0.500000 0.500000 0.196505 Sn\n0.000000 0.000000 0.524006 Te\n",
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{
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"structure_string": "Ba2 Sb6\n1.0\n6.243836 -0.009850 1.969935\n1.681136 6.533786 1.626544\n-0.005526 0.007836 6.939895\nBa Sb\n2 6\ndirect\n0.178491 0.664729 0.664727 Ba\n0.821509 0.335273 0.335272 Ba\n0.295938 0.143896 0.579860 Sb\n0.704062 0.420141 0.856104 Sb\n0.270349 0.014812 0.014812 Sb\n0.729652 0.985189 0.985187 Sb\n0.295938 0.579860 0.143895 Sb\n0.704063 0.856106 0.420140 Sb\n",
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{
"id": "jvasp-120863",
"created_at": "2022-09-04T14:38:54.026972Z",
"updated_at": "2022-09-04T14:38:54.027002Z",
"structure_string": "Ba1 Hf1 Se1\n1.0\n3.472636 -0.000000 0.000000\n-0.000000 3.472636 0.000000\n-0.000000 0.000000 8.809514\nBa Hf Se\n1 1 1\ndirect\n0.000000 0.000000 0.342940 Ba\n0.000000 0.000000 0.726013 Hf\n0.000000 0.000000 -0.002541 Se\n",
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"elements": [
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"density_atomic": 0.02823909525267372,
"volume": 106.23569817506655,
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"formula_full": "Ba1 Hf1 Se1",
"formula_reduced": "BaHfSe",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-122817",
"created_at": "2022-09-04T14:38:52.254757Z",
"updated_at": "2022-09-04T14:38:52.254783Z",
"structure_string": "Ac1 Sm3\n1.0\n1.860811 -3.223019 -0.000000\n1.860811 3.223019 0.000000\n-0.000000 0.000000 11.809781\nAc Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.000000 0.000000 0.500000 Sm\n0.333333 0.666667 0.257723 Sm\n0.666667 0.333333 0.742277 Sm\n",
"nsites": 4,
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"elements": [
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"density": 7.948644289582843,
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"volume": 141.6566510286273,
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{
"id": "jvasp-118945",
"created_at": "2022-09-04T14:38:47.289358Z",
"updated_at": "2022-09-04T14:38:47.289380Z",
"structure_string": "Rb1 Te1 Au1\n1.0\n3.400341 0.000000 -0.000000\n0.000000 3.400341 0.000000\n0.000000 -0.000000 9.188798\nRb Te Au\n1 1 1\ndirect\n0.000000 0.000000 0.635075 Rb\n0.000000 0.000000 0.000842 Te\n0.000000 0.000000 0.298692 Au\n",
"nsites": 3,
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],
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{
"id": "jvasp-37821",
"created_at": "2022-09-04T14:38:06.231032Z",
"updated_at": "2022-09-04T14:38:06.231053Z",
"structure_string": "Ca2 Nd6\n1.0\n3.712159 -6.429648 -0.000000\n3.712159 6.429648 -0.000000\n0.000000 -0.000000 5.935485\nCa Nd\n2 6\ndirect\n0.333333 0.666667 0.250000 Ca\n0.666667 0.333333 0.750001 Ca\n0.164503 0.835497 0.750001 Nd\n0.670994 0.835497 0.750001 Nd\n0.164503 0.329007 0.750001 Nd\n0.835497 0.164503 0.250000 Nd\n0.329007 0.164503 0.250000 Nd\n0.835497 0.670994 0.250000 Nd\n",
"nsites": 8,
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"elements": [
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{
"id": "jvasp-65733",
"created_at": "2022-09-04T14:35:42.647082Z",
"updated_at": "2022-09-04T14:35:42.647109Z",
"structure_string": "Ba1 Ca1 Mg2\n1.0\n5.919570 -0.000000 -0.000000\n0.000000 5.919570 0.000000\n-0.000000 0.000000 4.043095\nBa Ca Mg\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ba\n0.000000 0.000000 0.499999 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n",
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-110699",
"created_at": "2022-09-04T14:38:38.635170Z",
"updated_at": "2022-09-04T14:38:38.635194Z",
"structure_string": "Rb2 In1 Hg1 Br6\n1.0\n6.877788 -0.000000 3.970893\n2.292596 6.484441 3.970893\n-0.000000 -0.000000 7.941786\nRb In Hg Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n0.756230 0.243770 0.243770 Br\n0.243770 0.243770 0.756230 Br\n0.243771 0.756230 0.756230 Br\n0.243771 0.756230 0.243770 Br\n0.756230 0.243770 0.756230 Br\n0.756231 0.756230 0.243769 Br\n",
"nsites": 10,
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"volume": 354.1926204606203,
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"formula_full": "Rb2 In1 Hg1 Br6",
"formula_reduced": "Rb2InHgBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-108591",
"created_at": "2022-09-04T14:38:00.856547Z",
"updated_at": "2022-09-04T14:38:00.856583Z",
"structure_string": "Rb2 Sc1 Hg1 Br6\n1.0\n6.878010 -0.000000 3.971021\n2.292670 6.484650 3.971021\n-0.000000 -0.000000 7.942042\nRb Sc Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.764476 0.235524 0.235524 Br\n0.235524 0.235524 0.764476 Br\n0.235524 0.764476 0.764476 Br\n0.235524 0.764476 0.235524 Br\n0.764476 0.235524 0.764476 Br\n0.764476 0.764476 0.235523 Br\n",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-28512",
"created_at": "2022-09-04T14:36:34.256833Z",
"updated_at": "2022-09-04T14:36:34.256850Z",
"structure_string": "Te4 Mo2 W1 Se2\n1.0\n3.485898 0.000000 0.000000\n-1.742949 3.018892 0.000010\n0.000000 0.000095 30.297479\nTe Mo W Se\n4 2 1 2\ndirect\n0.333305 0.666611 0.403602 Te\n0.666674 0.333346 0.519937 Te\n0.666664 0.333326 0.641529 Te\n0.333310 0.666621 0.281385 Te\n0.333334 0.666668 0.117675 Mo\n0.333334 0.666667 0.580787 Mo\n0.666644 0.333287 0.342487 W\n0.666668 0.333335 0.064180 Se\n0.666671 0.333341 0.171262 Se\n",
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{
"id": "jvasp-107772",
"created_at": "2022-09-04T14:35:41.645658Z",
"updated_at": "2022-09-04T14:35:41.645679Z",
"structure_string": "Bi3 Sb1\n1.0\n4.376835 0.008656 7.148252\n2.021149 3.882231 7.148252\n0.014234 0.008656 8.381766\nBi Sb\n3 1\ndirect\n0.116871 0.116871 0.116871 Bi\n0.885057 0.885059 0.885056 Bi\n0.380676 0.380677 0.380676 Bi\n0.617395 0.617396 0.617395 Sb\n",
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