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{
"id": "jvasp-37259",
"created_at": "2022-09-04T14:38:01.389016Z",
"updated_at": "2022-09-04T14:38:01.389049Z",
"structure_string": "Sm1 Lu1 Zn2\n1.0\n0.000000 3.549020 3.549020\n3.549020 -0.000000 3.549020\n3.549020 3.549020 -0.000000\nSm Lu Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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{
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"created_at": "2022-09-04T14:35:56.032425Z",
"updated_at": "2022-09-04T14:35:56.032449Z",
"structure_string": "Sm1 Mg1\n1.0\n3.815365 0.000000 0.000000\n0.000000 3.815365 0.000000\n0.000000 0.000000 3.815365\nSm Mg\n1 1\ndirect\n0.499999 0.499999 0.499999 Sm\n0.000000 0.000000 0.000000 Mg\n",
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{
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"updated_at": "2022-09-04T14:38:07.667529Z",
"structure_string": "Sm1 Mg16 Al12\n1.0\n7.477205 -4.316966 3.052556\n-0.000000 8.633932 3.052556\n-7.477205 -4.316966 3.052556\nSm Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Sm\n0.396273 0.396272 0.715859 Mg\n0.284143 0.680415 0.680416 Mg\n0.641263 0.641263 0.641263 Mg\n0.000000 0.319586 0.603728 Mg\n0.319586 0.000000 0.603727 Mg\n0.715859 0.396272 0.396273 Mg\n0.396273 0.715858 0.396273 Mg\n0.680415 0.284142 0.680415 Mg\n0.000000 0.603728 0.319586 Mg\n0.603727 0.000000 0.319586 Mg\n0.680416 0.680415 0.284143 Mg\n0.603728 0.319586 0.000000 Mg\n0.319586 0.603728 0.000000 Mg\n0.000000 0.358737 0.000000 Mg\n0.358736 0.000000 0.000000 Mg\n0.000000 0.000000 0.358736 Mg\n0.000001 0.629907 0.812067 Al\n0.000001 0.812066 0.629908 Al\n0.812067 0.000000 0.629908 Al\n0.370096 0.182159 0.370096 Al\n0.182160 0.370094 0.370096 Al\n0.629908 0.812066 0.000001 Al\n0.817841 0.187934 0.187934 Al\n0.370096 0.370094 0.182160 Al\n0.812067 0.629907 0.000001 Al\n0.629908 0.000000 0.812067 Al\n0.187934 0.817840 0.187934 Al\n0.187934 0.187934 0.817841 Al\n",
"nsites": 29,
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"elements": [
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],
"chemical_system": "Al-Mg-Sm",
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"density_atomic": 0.04905295689760187,
"volume": 591.1977958951088,
"volume_molar": 12.276814978903777,
"formula_full": "Sm1 Mg16 Al12",
"formula_reduced": "Sm(Mg4Al3)4",
"formula_anonymous": "AB12C16",
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"spacegroup": 217
},
{
"id": "jvasp-40575",
"created_at": "2022-09-04T14:37:42.477604Z",
"updated_at": "2022-09-04T14:37:42.477636Z",
"structure_string": "Sm1 Mg1 Ag2\n1.0\n-0.000000 3.525786 3.525786\n3.525786 0.000000 3.525786\n3.525786 3.525786 0.000000\nSm Mg Ag\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Mg\n0.500001 0.500001 0.500001 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"density": 7.395416217461269,
"density_atomic": 0.04563122719921528,
"volume": 87.65926856485657,
"volume_molar": 13.197411355405238,
"formula_full": "Sm1 Mg1 Ag2",
"formula_reduced": "SmMgAg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"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",
"nsites": 4,
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"elements": [
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"volume": 86.0151668587594,
"volume_molar": 12.949886057958404,
"formula_full": "Sm1 Mg1 Au2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"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,
"density_atomic": 0.042133308735558435,
"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
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{
"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",
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"elements": [
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"Mg",
"Hg"
],
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"density_atomic": 0.04238237070857601,
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"formula_full": "Sm1 Mg1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-80064",
"created_at": "2022-09-04T14:37:15.028947Z",
"updated_at": "2022-09-04T14:37:15.028972Z",
"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",
"nsites": 4,
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"elements": [
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],
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"density": 8.66786310518864,
"density_atomic": 0.05487767083957523,
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"formula_full": "Sm1 Mg1 Rh2",
"formula_reduced": "SmMgRh2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40582",
"created_at": "2022-09-04T14:37:48.560564Z",
"updated_at": "2022-09-04T14:37:48.560574Z",
"structure_string": "Sm1 Mg1 Zn2\n1.0\n0.000000 3.446646 3.446646\n3.446646 0.000000 3.446646\n3.446646 3.446646 -0.000000\nSm Mg Zn\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sm\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Mg",
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"volume": 81.88795687538078,
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"formula_full": "Sm1 Mg1 Zn2",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-16436",
"created_at": "2022-09-04T14:37:37.302729Z",
"updated_at": "2022-09-04T14:37:37.302749Z",
"structure_string": "Sm1 Mg2 Ag1\n1.0\n4.330666 -0.000000 2.500311\n1.443556 4.082991 2.500311\n-0.000000 -0.000000 5.000622\nSm Mg Ag\n1 2 1\ndirect\n0.500001 0.500000 0.499999 Sm\n0.750002 0.750000 0.749999 Mg\n0.250001 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"density": 5.762373223447886,
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"volume": 88.42134975775785,
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"formula_full": "Sm1 Mg2 Ag1",
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},
{
"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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"density": 6.841580717801506,
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"formula_full": "Sm1 Mg2 Bi2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-120562",
"created_at": "2022-09-04T14:38:51.295965Z",
"updated_at": "2022-09-04T14:38:51.295977Z",
"structure_string": "Sm1 Mg2 Cr3 S8\n1.0\n6.386243 -0.009461 3.846197\n2.178858 6.003619 3.844052\n-0.004288 -0.001525 7.454615\nSm Mg Cr S\n1 2 3 8\ndirect\n0.500003 0.499990 0.500007 Sm\n0.875238 0.875201 0.875208 Mg\n0.124758 0.124804 0.124789 Mg\n0.499998 0.500004 0.000001 Cr\n0.000002 0.500002 0.499996 Cr\n0.499999 -0.000000 0.499999 Cr\n0.737149 0.737229 0.737216 S\n0.241142 0.241210 0.723126 S\n0.241158 0.723127 0.241216 S\n0.723110 0.241168 0.241158 S\n0.758847 0.276873 0.758792 S\n0.276886 0.758834 0.758842 S\n0.262852 0.262774 0.262778 S\n0.758856 0.758788 0.276870 S\n",
"nsites": 14,
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"formula_full": "Sm1 Mg2 Cr3 S8",
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"formula_anonymous": "AB2C3D8",
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