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{
"id": "jvasp-37242",
"created_at": "2022-09-04T14:37:56.835576Z",
"updated_at": "2022-09-04T14:37:56.835601Z",
"structure_string": "Sm1 Mg2 Sc1\n1.0\n-0.000000 3.695983 3.695983\n3.695983 0.000000 3.695983\n3.695983 3.695983 0.000000\nSm Mg Sc\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Sm\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Mg\n0.250000 0.250000 0.250000 Sc\n",
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{
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"structure_string": "Sm2 Mg6\n1.0\n6.735777 0.000000 -0.000000\n-3.367889 5.833354 0.000000\n0.000000 0.000000 5.190008\nSm Mg\n2 6\ndirect\n0.666668 0.333333 0.250001 Sm\n0.333333 0.666666 0.750000 Sm\n0.163263 0.326525 0.250001 Mg\n0.163263 0.836736 0.250001 Mg\n0.673473 0.836736 0.250001 Mg\n0.326527 0.163263 0.750000 Mg\n0.836737 0.163263 0.750000 Mg\n0.836737 0.673473 0.750000 Mg\n",
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{
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"created_at": "2022-09-04T14:35:51.765220Z",
"updated_at": "2022-09-04T14:35:51.765244Z",
"structure_string": "Sm1 Mg3\n1.0\n4.494111 0.000000 2.594676\n1.498037 4.237089 2.594676\n0.000000 0.000000 5.189353\nSm Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750001 Mg\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.04047952390211403,
"volume": 98.81539144760299,
"volume_molar": 14.877004913799135,
"formula_full": "Sm1 Mg3",
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"spacegroup": 225
},
{
"id": "jvasp-32132",
"created_at": "2022-09-04T14:38:07.667511Z",
"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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"Mg",
"Al"
],
"chemical_system": "Al-Mg-Sm",
"density": 2.4240210015853183,
"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
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{
"id": "jvasp-110033",
"created_at": "2022-09-04T14:38:37.336037Z",
"updated_at": "2022-09-04T14:38:37.336061Z",
"structure_string": "Sm1 Mg5\n1.0\n7.016512 0.035330 1.607399\n6.269575 3.150416 1.607399\n-0.019106 -0.004581 6.730367\nSm Mg\n1 5\ndirect\n0.499999 0.500001 0.500000 Sm\n0.174476 0.174477 0.669657 Mg\n0.830487 0.830491 0.844576 Mg\n0.499999 0.500001 0.000000 Mg\n0.169510 0.169511 0.155425 Mg\n0.825521 0.825524 0.330344 Mg\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Mg-Sm",
"density": 3.0632471863418056,
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"volume": 147.38466622463554,
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"formula_full": "Sm1 Mg5",
"formula_reduced": "SmMg5",
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"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-110108",
"created_at": "2022-09-04T14:38:19.726815Z",
"updated_at": "2022-09-04T14:38:19.726827Z",
"structure_string": "Sm1 Mg5 Sb4\n1.0\n4.633276 -0.000000 0.000000\n-2.316638 4.012535 0.000000\n0.000000 -0.000000 14.658716\nSm Mg Sb\n1 5 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666667 0.325551 Mg\n0.666667 0.333334 0.674449 Mg\n0.000000 0.000000 0.500000 Mg\n0.333334 0.666667 0.810633 Mg\n0.666667 0.333334 0.189367 Mg\n0.333334 0.666667 0.123592 Sb\n0.666667 0.333334 0.876408 Sb\n0.333334 0.666667 0.611878 Sb\n0.666667 0.333334 0.388122 Sb\n",
"nsites": 10,
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"elements": [
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"Mg",
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],
"chemical_system": "Mg-Sb-Sm",
"density": 4.624289562439829,
"density_atomic": 0.03669416960784686,
"volume": 272.5228587230804,
"volume_molar": 16.41171015547984,
"formula_full": "Sm1 Mg5 Sb4",
"formula_reduced": "SmMg5Sb4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.3878098525000001,
"spacegroup": 164
},
{
"id": "jvasp-90137",
"created_at": "2022-09-04T14:35:50.192714Z",
"updated_at": "2022-09-04T14:35:50.192745Z",
"structure_string": "Sm3 Mg3 Ag3\n1.0\n0.000000 0.000000 -4.232398\n-3.850504 -6.669268 0.000000\n-3.849360 6.668608 0.000000\nSm Mg Ag\n3 3 3\ndirect\n0.500000 0.585257 -0.000000 Sm\n0.500000 0.414699 0.414723 Sm\n0.500000 -0.000024 0.585277 Sm\n0.000000 0.242929 -0.000000 Mg\n0.000000 0.757041 0.757039 Mg\n0.000000 0.000003 0.242961 Mg\n0.000000 0.333333 0.666668 Ag\n0.000000 0.666664 0.333331 Ag\n0.500000 -0.000004 0.000000 Ag\n",
"nsites": 9,
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"density": 6.476100934739794,
"density_atomic": 0.04141105337544208,
"volume": 217.33327859119981,
"volume_molar": 14.542351061205553,
"formula_full": "Sm3 Mg3 Ag3",
"formula_reduced": "SmMgAg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1156060224999999,
"spacegroup": 189
},
{
"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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"volume": 87.65926856485657,
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"formula_full": "Sm1 Mg1 Ag2",
"formula_reduced": "SmMgAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.022341331875,
"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",
"nsites": 9,
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"density": 8.77992777391876,
"density_atomic": 0.04268256414092018,
"volume": 210.85893458241455,
"volume_molar": 14.109135383988134,
"formula_full": "Sm3 Mg3 Au3",
"formula_reduced": "SmMgAu",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"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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"elements": [
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"density": 10.976894608545038,
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"volume": 86.0151668587594,
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"formula_full": "Sm1 Mg1 Au2",
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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",
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],
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"density": 6.841580717801506,
"density_atomic": 0.03339188294517041,
"volume": 149.7369887229785,
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"formula_full": "Sm1 Mg2 Bi2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"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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}
]
}