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{
"id": "jvasp-23532",
"created_at": "2022-09-04T14:37:33.835011Z",
"updated_at": "2022-09-04T14:37:33.835030Z",
"structure_string": "Sr2 In8 Pt2\n1.0\n4.454408 0.000000 -1.189304\n0.000000 7.604429 0.000000\n-0.001960 -0.000000 8.929061\nSr In Pt\n2 8 2\ndirect\n0.873252 0.250000 0.746504 Sr\n0.126748 0.750000 0.253496 Sr\n0.683577 0.048544 0.367154 In\n0.500000 0.500000 0.000000 In\n0.316423 0.548544 0.632847 In\n0.316423 0.951456 0.632847 In\n0.683577 0.451456 0.367154 In\n0.933742 0.750000 0.867484 In\n0.066258 0.250000 0.132517 In\n0.500000 0.000000 0.000000 In\n0.224239 0.250000 0.448479 Pt\n0.775761 0.750000 0.551521 Pt\n",
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{
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{
"id": "jvasp-12141",
"created_at": "2022-09-04T14:37:08.816400Z",
"updated_at": "2022-09-04T14:37:08.816410Z",
"structure_string": "Ba2 B4 Se12\n1.0\n6.881898 0.020106 -0.000000\n-2.544468 6.394264 -0.000000\n0.000000 0.000000 10.297987\nBa B Se\n2 4 12\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.613824 0.386176 0.000000 B\n0.386176 0.613824 0.000000 B\n0.886176 0.113825 0.500000 B\n0.113824 0.886175 0.500000 B\n0.600905 0.600905 0.859808 Se\n0.100905 0.100905 0.640193 Se\n0.107375 0.524109 0.904255 Se\n0.607375 0.024109 0.595746 Se\n0.475891 0.892625 0.095745 Se\n0.524109 0.107375 0.904255 Se\n0.975891 0.392625 0.404255 Se\n0.899095 0.899095 0.359807 Se\n0.399095 0.399095 0.140193 Se\n0.892625 0.475891 0.095745 Se\n0.024109 0.607375 0.595746 Se\n0.392625 0.975891 0.404255 Se\n",
"nsites": 18,
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"density": 4.631560714777627,
"density_atomic": 0.03967498410053331,
"volume": 453.68638218957835,
"volume_molar": 15.178684746893321,
"formula_full": "Ba2 B4 Se12",
"formula_reduced": "Ba(BSe3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 64
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{
"id": "jvasp-109779",
"created_at": "2022-09-04T14:38:27.867982Z",
"updated_at": "2022-09-04T14:38:27.868010Z",
"structure_string": "Cd1 Ag2 Sn1 S4\n1.0\n4.075417 0.000000 0.000000\n0.000000 6.823322 0.045204\n0.000000 0.032710 7.251589\nCd Ag Sn S\n1 2 1 4\ndirect\n-0.000000 0.110470 0.173996 Cd\n0.500000 0.135978 0.669687 Ag\n0.500000 0.647648 0.311895 Ag\n-0.000000 0.635238 0.843079 Sn\n0.500000 0.510375 0.665034 S\n-0.000000 0.495155 0.151433 S\n0.500000 0.010118 0.347591 S\n-0.000000 0.990215 0.837282 S\n",
"nsites": 8,
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"elements": [
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"density": 4.736063124392823,
"density_atomic": 0.03967362321946135,
"volume": 201.64530866633098,
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"formula_full": "Cd1 Ag2 Sn1 S4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 6
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{
"id": "jvasp-22728",
"created_at": "2022-09-04T14:36:11.690374Z",
"updated_at": "2022-09-04T14:36:11.690396Z",
"structure_string": "Ca2 Sn1 S4\n1.0\n0.000000 0.000000 -3.868185\n-6.939795 0.050151 0.000000\n2.275465 6.556335 0.000000\nCa Sn S\n2 1 4\ndirect\n0.500001 -0.000000 0.500000 Ca\n0.500001 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Sn\n0.000000 0.232242 0.767758 S\n0.000000 0.767757 0.232242 S\n0.500001 0.777293 0.777294 S\n0.500001 0.222706 0.222706 S\n",
"nsites": 7,
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"elements": [
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"formula_full": "Ca2 Sn1 S4",
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{
"id": "jvasp-107437",
"created_at": "2022-09-04T14:37:01.691532Z",
"updated_at": "2022-09-04T14:37:01.691551Z",
"structure_string": "Dy1 Tm1 Cd2\n1.0\n4.524402 -0.000000 2.612165\n1.508134 4.265648 2.612165\n-0.000000 -0.000000 5.224330\nDy Tm Cd\n1 1 2\ndirect\n0.499999 0.500000 0.499999 Dy\n0.000000 0.000000 0.000000 Tm\n0.749999 0.750000 0.749999 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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"formula_full": "Dy1 Tm1 Cd2",
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"spacegroup": 225
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{
"id": "jvasp-5107",
"created_at": "2022-09-04T14:37:08.576987Z",
"updated_at": "2022-09-04T14:37:08.577005Z",
"structure_string": "Pu1 In1\n1.0\n3.192572 0.000000 -0.000000\n-0.000000 3.192572 0.000000\n-0.000000 0.000000 4.946517\nPu In\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
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"elements": [
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"chemical_system": "In-Pu",
"density": 11.817957173879503,
"density_atomic": 0.039668802357378276,
"volume": 50.41745354401924,
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"formula_full": "Pu1 In1",
"formula_reduced": "PuIn",
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"spacegroup": 123
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{
"id": "jvasp-18103",
"created_at": "2022-09-04T14:37:29.405523Z",
"updated_at": "2022-09-04T14:37:29.405540Z",
"structure_string": "Pu1 In1\n1.0\n3.192199 -0.000000 0.000000\n0.000000 3.192199 -0.000000\n-0.000000 -0.000000 4.947694\nPu In\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
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"elements": [
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"density": 11.81790711490846,
"density_atomic": 0.03966863432669419,
"volume": 50.41766710517033,
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},
{
"id": "jvasp-37494",
"created_at": "2022-09-04T14:38:05.482652Z",
"updated_at": "2022-09-04T14:38:05.482674Z",
"structure_string": "Sm6 Sb8 Au6\n1.0\n-5.013880 5.013884 5.013884\n5.013884 -5.013880 5.013884\n5.013884 5.013884 -5.013880\nSm Sb Au\n6 8 6\ndirect\n0.250000 0.625000 0.374999 Sm\n0.749999 0.874999 0.124998 Sm\n0.374999 0.250000 0.625000 Sm\n0.625000 0.374999 0.250000 Sm\n0.124998 0.749999 0.874999 Sm\n0.874999 0.124998 0.749999 Sm\n0.822208 0.499999 -0.000001 Sb\n-0.000001 0.822208 0.499999 Sb\n0.499999 -0.000001 0.822208 Sb\n0.677790 0.677790 0.677790 Sb\n-0.000000 0.322210 0.499999 Sb\n0.322210 0.499999 -0.000000 Sb\n0.499999 -0.000000 0.322210 Sb\n0.177790 0.177790 0.177790 Sb\n0.249998 0.124998 0.874999 Au\n0.750000 0.374999 0.624999 Au\n0.874999 0.249998 0.124998 Au\n0.124998 0.874999 0.249998 Au\n0.624999 0.750000 0.374999 Au\n0.374999 0.624999 0.750000 Au\n",
"nsites": 20,
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"elements": [
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],
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"density": 10.071852075508342,
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"volume": 504.1767766325417,
"volume_molar": 15.181117584021223,
"formula_full": "Sm6 Sb8 Au6",
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"formula_anonymous": "A3B3C4",
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{
"id": "jvasp-92271",
"created_at": "2022-09-04T14:35:45.788614Z",
"updated_at": "2022-09-04T14:35:45.788654Z",
"structure_string": "Mg6 Bi2\n1.0\n3.463743 0.000000 0.000000\n0.000000 10.600543 0.000000\n0.000000 0.000000 5.492617\nMg Bi\n6 2\ndirect\n0.000000 0.500000 0.665099 Mg\n0.500000 0.748169 0.500106 Mg\n0.000000 0.751831 0.000106 Mg\n0.500000 0.000000 0.165099 Mg\n0.000000 0.248169 0.000106 Mg\n0.500000 0.251831 0.500106 Mg\n0.500000 0.500000 0.168025 Bi\n0.000000 0.000000 0.668025 Bi\n",
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"volume": 201.6754756479998,
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"formula_full": "Mg6 Bi2",
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},
{
"id": "jvasp-118693",
"created_at": "2022-09-04T14:38:52.624349Z",
"updated_at": "2022-09-04T14:38:52.624364Z",
"structure_string": "Mg1 Cl1\n1.0\n3.849429 0.000000 0.000000\n0.000000 3.849429 0.000000\n-0.000000 0.000000 3.402710\nMg Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:36:12.862929Z",
"updated_at": "2022-09-04T14:36:12.862961Z",
"structure_string": "Ba1 Se4 Br1\n1.0\n0.000000 4.229158 4.229158\n4.229158 -0.000000 4.229158\n4.229158 4.229158 -0.000000\nBa Se Br\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.123735 0.625421 0.625421 Se\n0.625421 0.625421 0.625421 Se\n0.625421 0.123735 0.625421 Se\n0.625421 0.625421 0.123735 Se\n0.000000 0.000000 0.000000 Br\n",
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"formula_full": "Ba1 Se4 Br1",
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}