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{
"id": "jvasp-92527",
"created_at": "2022-09-04T14:36:22.235717Z",
"updated_at": "2022-09-04T14:36:22.235748Z",
"structure_string": "Sm1 Mg2 Sb2\n1.0\n-2.335079 -4.044589 -0.000062\n-2.335177 4.044645 -0.000000\n-0.000086 -0.000050 -7.356414\nSm Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333338 0.666670 0.641332 Mg\n0.666663 0.333332 0.358667 Mg\n0.333327 0.666665 0.245216 Sb\n0.666674 0.333337 0.754783 Sb\n",
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{
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"structure_string": "Sm1 Mg1 Rh2\n1.0\n0.000010 3.315476 3.315469\n3.315475 0.000014 3.315466\n3.315478 3.315476 0.000011\nSm Mg Rh\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sm\n0.250001 0.250000 0.250000 Mg\n0.999998 0.000000 0.000001 Rh\n0.500002 0.500001 0.500001 Rh\n",
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"formula_full": "Sm1 Mg1 Rh2",
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{
"id": "jvasp-17435",
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"updated_at": "2022-09-04T14:37:38.006563Z",
"structure_string": "Sm3 Mg3 Pt3\n1.0\n3.732400 -6.464706 -0.000000\n3.732400 6.464706 0.000000\n0.000000 0.000000 4.106650\nSm Mg Pt\n3 3 3\ndirect\n0.589239 0.589239 0.000000 Sm\n0.410762 -0.000000 0.000000 Sm\n-0.000000 0.410762 0.000000 Sm\n-0.000000 0.756767 0.500000 Mg\n0.243233 0.243233 0.500000 Mg\n0.756767 -0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Pt\n0.333333 0.666667 0.500000 Pt\n0.666667 0.333333 0.500000 Pt\n",
"nsites": 9,
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"elements": [
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],
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"density": 9.294429003779241,
"density_atomic": 0.04541380214463976,
"volume": 198.17763708344953,
"volume_molar": 13.260595844452544,
"formula_full": "Sm3 Mg3 Pt3",
"formula_reduced": "SmMgPt",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6495797749999999,
"spacegroup": 189
},
{
"id": "jvasp-113132",
"created_at": "2022-09-04T14:38:46.544943Z",
"updated_at": "2022-09-04T14:38:46.544977Z",
"structure_string": "Sm2 Mg2 Mn2 S8\n1.0\n6.722572 -0.000830 4.046217\n2.303770 6.179938 3.772421\n0.011081 -0.014425 7.602307\nSm Mg Mn S\n2 2 2 8\ndirect\n0.500002 0.500005 0.499993 Sm\n-0.000003 0.499997 0.500007 Sm\n0.874291 0.875874 0.875625 Mg\n0.125712 0.124124 0.124373 Mg\n0.499997 0.499999 -0.000002 Mn\n0.500001 0.000005 0.499998 Mn\n0.708845 0.761082 0.761056 S\n0.270870 0.227845 0.729828 S\n0.271489 0.729726 0.227896 S\n0.730793 0.238679 0.239232 S\n0.728501 0.270277 0.772104 S\n0.269209 0.761318 0.760771 S\n0.291154 0.238910 0.238955 S\n0.729137 0.772161 0.270169 S\n",
"nsites": 14,
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"elements": [
"Sm",
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S-Sm",
"density": 3.763343817808624,
"density_atomic": 0.04433084266878106,
"volume": 315.8072158610052,
"volume_molar": 13.584539335276272,
"formula_full": "Sm2 Mg2 Mn2 S8",
"formula_reduced": "SmMgMnS4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-18098",
"created_at": "2022-09-04T14:38:16.818403Z",
"updated_at": "2022-09-04T14:38:16.818429Z",
"structure_string": "Sm3 Mg3 In3\n1.0\n3.807374 -6.594566 -0.000000\n3.807374 6.594566 0.000000\n0.000000 -0.000000 4.701589\nSm Mg In\n3 3 3\ndirect\n0.430306 0.430306 0.000000 Sm\n-0.000001 0.569694 0.000000 Sm\n0.569694 -0.000001 0.000000 Sm\n-0.000000 0.242380 0.500000 Mg\n0.242380 -0.000000 0.500000 Mg\n0.757619 0.757619 0.500000 Mg\n0.333332 0.666667 0.500000 In\n0.000000 0.000000 0.000000 In\n0.666667 0.333332 0.500000 In\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Mg",
"In"
],
"chemical_system": "In-Mg-Sm",
"density": 6.108112124097336,
"density_atomic": 0.0381202809856418,
"volume": 236.09479697670375,
"volume_molar": 15.797734445525915,
"formula_full": "Sm3 Mg3 In3",
"formula_reduced": "SmMgIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-40290",
"created_at": "2022-09-04T14:37:52.609231Z",
"updated_at": "2022-09-04T14:37:52.609253Z",
"structure_string": "Sm1 Mg1 Hg2\n1.0\n-0.000000 3.613668 3.613668\n3.613668 -0.000000 3.613668\n3.613668 3.613668 0.000000\nSm Mg Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Sm\n0.249999 0.249999 0.249999 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Mg",
"Hg"
],
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"density": 10.131644719412815,
"density_atomic": 0.04238237070857601,
"volume": 94.37886397399204,
"volume_molar": 14.209070090506827,
"formula_full": "Sm1 Mg1 Hg2",
"formula_reduced": "SmMgHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-16405",
"created_at": "2022-09-04T14:38:35.081511Z",
"updated_at": "2022-09-04T14:38:35.081536Z",
"structure_string": "Sm3 Mg3 Ga3\n1.0\n3.682741 -6.378694 0.000000\n3.682741 6.378694 0.000000\n-0.000000 0.000000 4.464021\nSm Mg Ga\n3 3 3\ndirect\n0.000000 0.577910 0.000000 Sm\n0.422090 0.422090 0.000000 Sm\n0.577910 0.000000 0.000000 Sm\n0.000000 0.243990 0.500000 Mg\n0.756010 0.756010 0.500000 Mg\n0.243990 0.000000 0.500000 Mg\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 9,
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"elements": [
"Sm",
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Sm",
"density": 5.804850768840667,
"density_atomic": 0.04291245286122886,
"volume": 209.72933029730035,
"volume_molar": 14.033550539454172,
"formula_full": "Sm3 Mg3 Ga3",
"formula_reduced": "SmMgGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-29739",
"created_at": "2022-09-04T14:38:00.890979Z",
"updated_at": "2022-09-04T14:38:00.891013Z",
"structure_string": "Sm2 Mg2 F8\n1.0\n3.739700 -0.000000 -1.026864\n0.000000 5.656723 0.000000\n0.144896 0.000000 7.850867\nSm Mg F\n2 2 8\ndirect\n0.673744 0.750000 0.347488 Sm\n0.326257 0.250000 0.652513 Sm\n0.083506 0.250000 0.167012 Mg\n0.916495 0.750000 0.832989 Mg\n0.000000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n0.192136 0.494548 0.384272 F\n0.807865 0.505452 0.615729 F\n0.386254 0.750000 0.772507 F\n0.613747 0.250000 0.227494 F\n0.192136 0.005452 0.384272 F\n0.807865 0.994547 0.615729 F\n",
"nsites": 12,
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"elements": [
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"Mg",
"F"
],
"chemical_system": "F-Mg-Sm",
"density": 4.987088684781778,
"density_atomic": 0.07188969024583514,
"volume": 166.92240513159268,
"volume_molar": 8.376918497501645,
"formula_full": "Sm2 Mg2 F8",
"formula_reduced": "SmMgF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-40244",
"created_at": "2022-09-04T14:37:52.706607Z",
"updated_at": "2022-09-04T14:37:52.706632Z",
"structure_string": "Sm1 Mg1 Cd2\n1.0\n-0.000405 3.620572 3.620572\n3.620572 -0.000405 3.620572\n3.620572 3.620572 -0.000405\nSm Mg Cd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Sm\n0.250000 0.250000 0.250000 Mg\n0.000022 0.000022 0.000022 Cd\n0.499978 0.499978 0.499978 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
],
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"density": 6.987427632389546,
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"volume": 94.93676428559709,
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"formula_full": "Sm1 Mg1 Cd2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-92521",
"created_at": "2022-09-04T14:36:02.720521Z",
"updated_at": "2022-09-04T14:36:02.720543Z",
"structure_string": "Sm1 Mg2 Bi2\n1.0\n-2.410993 -4.176095 -0.000044\n-2.411108 4.176162 0.000000\n-0.000040 -0.000024 -7.435650\nSm Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333345 0.666673 0.644095 Mg\n0.666654 0.333328 0.355904 Mg\n0.333326 0.666664 0.242118 Bi\n0.666673 0.333337 0.757881 Bi\n",
"nsites": 5,
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],
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"density": 6.841580717801506,
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"volume": 149.7369887229785,
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"formula_full": "Sm1 Mg2 Bi2",
"formula_reduced": "Sm(MgBi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.2553191149999999,
"spacegroup": 164
},
{
"id": "jvasp-40578",
"created_at": "2022-09-04T14:37:52.511615Z",
"updated_at": "2022-09-04T14:37:52.511638Z",
"structure_string": "Sm1 Mg1 Au2\n1.0\n0.000000 3.503604 3.503604\n3.503604 0.000000 3.503604\n3.503604 3.503604 0.000000\nSm Mg Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Au\n0.499999 0.499999 0.499999 Au\n",
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"volume": 86.0151668587594,
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"formula_full": "Sm1 Mg1 Au2",
"formula_reduced": "SmMgAu2",
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"spacegroup": 225
},
{
"id": "jvasp-110491",
"created_at": "2022-09-04T14:38:38.268574Z",
"updated_at": "2022-09-04T14:38:38.268589Z",
"structure_string": "Sm3 Mg3 Au3\n1.0\n7.664754 -0.000000 0.000000\n-3.832377 6.637872 0.000000\n0.000000 0.000000 4.144431\nSm Mg Au\n3 3 3\ndirect\n0.587978 0.000000 0.000000 Sm\n-0.000000 0.587978 0.000000 Sm\n0.412022 0.412022 0.000000 Sm\n0.244103 0.000000 0.500000 Mg\n-0.000000 0.244103 0.500000 Mg\n0.755897 0.755897 0.500000 Mg\n0.333332 0.666667 0.500000 Au\n0.666666 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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"density_atomic": 0.04268256414092018,
"volume": 210.85893458241455,
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"formula_full": "Sm3 Mg3 Au3",
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"formula_anonymous": "ABC",
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"spacegroup": 189
}
]
}