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{
"id": "jvasp-64024",
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"structure_string": "Ba4 Mg1 Pt1\n1.0\n0.000000 4.908274 4.908274\n4.908274 -0.000000 4.908274\n4.908274 4.908274 -0.000000\nBa Mg Pt\n4 1 1\ndirect\n0.120757 0.626414 0.626414 Ba\n0.626414 0.626414 0.626414 Ba\n0.626414 0.120757 0.626414 Ba\n0.626414 0.626414 0.120757 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Pt\n",
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{
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"structure_string": "Ba4 Mg1 Re1\n1.0\n0.000000 4.821845 4.821845\n4.821845 -0.000000 4.821845\n4.821845 4.821845 -0.000000\nBa Mg Re\n4 1 1\ndirect\n0.121375 0.626209 0.626209 Ba\n0.626209 0.626209 0.626209 Ba\n0.626209 0.121375 0.626209 Ba\n0.626209 0.626209 0.121375 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Re\n",
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{
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"structure_string": "Ba2 Mg1 Sb1\n1.0\n0.000000 4.232935 4.232935\n4.232935 0.000000 4.232935\n4.232935 4.232935 0.000000\nBa Mg Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Sb\n",
"nsites": 4,
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"elements": [
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"volume": 151.68924664859603,
"volume_molar": 22.837349877405085,
"formula_full": "Ba2 Mg1 Sb1",
"formula_reduced": "Ba2MgSb",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-92873",
"created_at": "2022-09-04T14:35:43.799390Z",
"updated_at": "2022-09-04T14:35:43.799415Z",
"structure_string": "Ba1 Mg6 Sb1\n1.0\n7.715098 -0.631171 0.000000\n-4.404159 6.365885 0.000000\n0.000000 0.000000 4.903498\nBa Mg Sb\n1 6 1\ndirect\n0.206702 0.293298 0.250000 Ba\n0.158176 0.787062 0.250000 Mg\n0.712937 0.341823 0.250000 Mg\n0.628746 0.871253 0.250000 Mg\n0.303984 0.676558 0.750000 Mg\n0.823442 0.196016 0.750000 Mg\n0.780632 0.719367 0.750000 Mg\n0.385381 0.114619 0.750000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ba-Mg-Sb",
"density": 2.959460851253736,
"density_atomic": 0.035211739346322185,
"volume": 227.1969561434229,
"volume_molar": 17.102650626740495,
"formula_full": "Ba1 Mg6 Sb1",
"formula_reduced": "BaMg6Sb",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-119953",
"created_at": "2022-09-04T14:38:52.293145Z",
"updated_at": "2022-09-04T14:38:52.293172Z",
"structure_string": "Ba1 Mg1 Sb1\n1.0\n3.429776 0.000000 -0.000000\n-0.000000 3.429776 0.000000\n-0.000000 0.000000 9.623765\nBa Mg Sb\n1 1 1\ndirect\n0.000000 0.000000 0.341692 Ba\n0.000000 0.000000 0.701318 Mg\n0.000000 0.000000 -0.005446 Sb\n",
"nsites": 3,
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"elements": [
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"density": 4.156809864851122,
"density_atomic": 0.026499930266917417,
"volume": 113.20784506913243,
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"formula_full": "Ba1 Mg1 Sb1",
"formula_reduced": "BaMgSb",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-119952",
"created_at": "2022-09-04T14:38:53.785062Z",
"updated_at": "2022-09-04T14:38:53.785091Z",
"structure_string": "Ba1 Mg1 Sb1\n1.0\n6.772288 -1.554304 0.000000\n-0.613282 4.778414 0.000000\n0.000000 0.000000 3.547247\nBa Mg Sb\n1 1 1\ndirect\n-0.207579 -0.208146 0.000000 Ba\n0.403929 0.097614 0.000000 Mg\n0.177687 0.484570 0.000000 Sb\n",
"nsites": 3,
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"elements": [
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"density": 4.223873754438579,
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"formula_full": "Ba1 Mg1 Sb1",
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"spacegroup": 38
},
{
"id": "jvasp-64494",
"created_at": "2022-09-04T14:36:12.236481Z",
"updated_at": "2022-09-04T14:36:12.236507Z",
"structure_string": "Ba4 Mg1 Sb1\n1.0\n-0.000000 5.071224 5.071224\n5.071224 -0.000000 5.071224\n5.071224 5.071224 -0.000000\nBa Mg Sb\n4 1 1\ndirect\n0.120181 0.626605 0.626605 Ba\n0.626605 0.626605 0.626605 Ba\n0.626605 0.120181 0.626605 Ba\n0.626605 0.626605 0.120181 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
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"volume": 260.8365083637815,
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"formula_full": "Ba4 Mg1 Sb1",
"formula_reduced": "Ba4MgSb",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-3000",
"created_at": "2022-09-04T14:36:40.956290Z",
"updated_at": "2022-09-04T14:36:40.956317Z",
"structure_string": "Ba1 Mg2 Sb2\n1.0\n2.398403 -4.154157 0.000000\n2.398403 4.154157 0.000000\n0.000000 0.000000 8.166942\nBa Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333332 0.624659 Mg\n0.333332 0.666666 0.375341 Mg\n0.666666 0.333332 0.267618 Sb\n0.333332 0.666666 0.732382 Sb\n",
"nsites": 5,
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"formula_full": "Ba1 Mg2 Sb2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-64738",
"created_at": "2022-09-04T14:35:52.901790Z",
"updated_at": "2022-09-04T14:35:52.901812Z",
"structure_string": "Ba4 Mg1 Sc1\n1.0\n0.000000 5.170078 5.170078\n5.170078 -0.000000 5.170078\n5.170078 5.170078 -0.000000\nBa Mg Sc\n4 1 1\ndirect\n0.124504 0.625165 0.625165 Ba\n0.625165 0.625165 0.625165 Ba\n0.625165 0.124504 0.625165 Ba\n0.625165 0.625165 0.124504 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 6,
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"formula_full": "Ba4 Mg1 Sc1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66392",
"created_at": "2022-09-04T14:36:12.634405Z",
"updated_at": "2022-09-04T14:36:12.634432Z",
"structure_string": "Ba1 Mg1 Sc1\n1.0\n0.000000 3.867564 3.867564\n3.867564 -0.000000 3.867564\n3.867564 3.867564 0.000000\nBa Mg Sc\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Sc\n",
"nsites": 3,
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},
{
"id": "jvasp-69241",
"created_at": "2022-09-04T14:35:43.722889Z",
"updated_at": "2022-09-04T14:35:43.722924Z",
"structure_string": "Ba1 Mg1 Se4\n1.0\n-0.000000 4.285916 4.285916\n4.285916 -0.000000 4.285916\n4.285916 4.285916 0.000000\nBa Mg Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Mg\n0.119843 0.626719 0.626719 Se\n0.626719 0.626719 0.626719 Se\n0.626719 0.119843 0.626719 Se\n0.626719 0.626719 0.119843 Se\n",
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{
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"created_at": "2022-09-04T14:36:04.979338Z",
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"structure_string": "Ba4 Mg1 Se1\n1.0\n-0.000000 5.067230 5.067230\n5.067230 -0.000000 5.067230\n5.067230 5.067230 0.000000\nBa Mg Se\n4 1 1\ndirect\n0.120989 0.626337 0.626337 Ba\n0.626337 0.626337 0.626337 Ba\n0.626337 0.120989 0.626337 Ba\n0.626337 0.626337 0.120989 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Se\n",
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}
]
}