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{
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{
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"created_at": "2022-09-04T14:36:51.002055Z",
"updated_at": "2022-09-04T14:36:51.002075Z",
"structure_string": "Sm4 Sn4 O14\n1.0\n6.493998 -0.000000 3.749311\n2.164666 6.122599 3.749311\n-0.000000 0.000000 7.498622\nSm Sn O\n4 4 14\ndirect\n0.500000 0.500000 0.499999 Sm\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 -0.000000 Sm\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.000000 0.500000 -0.000000 Sn\n0.086176 0.663825 0.086175 O\n0.663825 0.086175 0.663824 O\n0.663825 0.086175 0.086175 O\n0.625001 0.625000 0.624999 O\n0.913825 0.336176 0.336175 O\n0.336176 0.913825 0.336175 O\n0.336176 0.336176 0.913824 O\n0.913825 0.913825 0.336175 O\n0.913825 0.336176 0.913824 O\n0.086176 0.663825 0.663824 O\n0.336176 0.913825 0.913824 O\n0.375000 0.375000 0.375000 O\n0.663825 0.663825 0.086175 O\n0.086176 0.086175 0.663824 O\n",
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"spacegroup": 62
},
{
"id": "jvasp-59138",
"created_at": "2022-09-04T14:38:35.074065Z",
"updated_at": "2022-09-04T14:38:35.074081Z",
"structure_string": "Sm4 Sc4 O12\n1.0\n5.533312 -0.000000 0.000000\n0.000000 5.802853 0.000000\n0.000000 0.000000 7.994995\nSm Sc O\n4 4 12\ndirect\n0.017353 0.939243 0.250000 Sm\n0.517353 0.560756 0.750000 Sm\n0.482646 0.439244 0.250000 Sm\n0.982646 0.060756 0.750000 Sm\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.805538 0.803227 0.938658 O\n0.305538 0.696772 0.061343 O\n0.305538 0.696772 0.438657 O\n0.805538 0.803227 0.561343 O\n0.194462 0.196773 0.061343 O\n0.382658 0.953905 0.750000 O\n0.117342 0.453905 0.750000 O\n0.617342 0.046095 0.250000 O\n0.194462 0.196773 0.438657 O\n0.882658 0.546094 0.250000 O\n0.694462 0.303227 0.938658 O\n0.694462 0.303227 0.561343 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Sc",
"O"
],
"chemical_system": "O-Sc-Sm",
"density": 6.29551789485096,
"density_atomic": 0.07790854098300945,
"volume": 256.7112635874116,
"volume_molar": 7.729756820004277,
"formula_full": "Sm4 Sc4 O12",
"formula_reduced": "SmScO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.663906925,
"spacegroup": 62
}
]
}