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"updated_at": "2021-11-28T01:38:33.219000Z",
"spacegroup": 65
},
{
"id": "mp-1235308",
"created_at": "2022-09-04T14:48:14.583971Z",
"structure_string": "Sr2 Li1 H8 O6\n1.0\n3.536768 -0.025489 0.013463\n-0.027649 6.764966 0.136647\n-0.000186 0.131295 7.649593\nSr Li H O\n2 1 8 6\ndirect\n0.994889 0.566999 0.765261 Sr\n0.991384 0.428777 0.278335 Sr\n0.979450 0.029678 0.125866 Li\n0.210614 0.034244 0.820552 H\n0.779425 0.029269 0.819386 H\n0.816696 0.863671 0.395624 H\n0.265896 0.864261 0.372487 H\n0.503216 0.897781 0.628454 H\n0.484011 0.235883 0.058549 H\n0.487668 0.287688 0.563430 H\n0.496997 0.694715 0.027860 H\n0.993561 0.114353 0.865767 O\n0.024483 0.813204 0.315873 O\n0.497214 0.848879 0.753167 O\n0.485042 0.172755 0.175847 O\n0.491795 0.432510 0.542230 O\n0.497659 0.549916 0.030518 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
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"H",
"O"
],
"chemical_system": "H-Li-O-Sr",
"density": 2.5979677800399985,
"density_atomic": 0.09291843050769567,
"volume": 182.95616819089545,
"volume_molar": 6.4811046926812175,
"formula_full": "Sr2 Li1 H8 O6",
"formula_reduced": "Sr2Li(H4O3)2",
"formula_anonymous": "AB2C6D8",
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"energy_per_atom": -5.299467071176471,
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"total_magnetization": 3.9e-06,
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"updated_at": "2021-11-28T01:38:41.981000Z",
"spacegroup": 1
},
{
"id": "mp-1209813",
"created_at": "2022-09-04T14:48:14.380111Z",
"structure_string": "Sm6 Sn26 Ru8\n1.0\n9.825902 0.000000 0.000000\n0.000000 9.825902 0.000000\n0.000000 0.000000 9.825902\nSm Sn Ru\n6 26 8\ndirect\n0.250000 0.000000 0.500000 Sm\n0.750000 0.000000 0.500000 Sm\n0.500000 0.250000 0.000000 Sm\n0.500000 0.750000 0.000000 Sm\n0.000000 0.500000 0.250000 Sm\n0.000000 0.500000 0.750000 Sm\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.155325 0.304793 Sn\n0.000000 0.844675 0.695207 Sn\n0.000000 0.844675 0.304793 Sn\n0.000000 0.155325 0.695207 Sn\n0.304793 0.000000 0.155325 Sn\n0.655325 0.500000 0.195207 Sn\n0.695207 0.000000 0.844675 Sn\n0.344675 0.500000 0.804793 Sn\n0.304793 0.000000 0.844675 Sn\n0.344675 0.500000 0.195207 Sn\n0.695207 0.000000 0.155325 Sn\n0.655325 0.500000 0.804793 Sn\n0.155325 0.304793 0.000000 Sn\n0.500000 0.804793 0.344675 Sn\n0.844675 0.695207 0.000000 Sn\n0.500000 0.195207 0.655325 Sn\n0.155325 0.695207 0.000000 Sn\n0.500000 0.195207 0.344675 Sn\n0.844675 0.304793 0.000000 Sn\n0.500000 0.804793 0.655325 Sn\n0.195207 0.655325 0.500000 Sn\n0.804793 0.344675 0.500000 Sn\n0.195207 0.344675 0.500000 Sn\n0.804793 0.655325 0.500000 Sn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n0.750000 0.750000 0.250000 Ru\n0.750000 0.250000 0.750000 Ru\n0.250000 0.250000 0.750000 Ru\n0.250000 0.750000 0.250000 Ru\n0.250000 0.750000 0.750000 Ru\n0.750000 0.250000 0.250000 Ru\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Sn",
"Ru"
],
"chemical_system": "Ru-Sm-Sn",
"density": 8.396877683011628,
"density_atomic": 0.0421640875423258,
"volume": 948.6746264779616,
"volume_molar": 14.28263034022677,
"formula_full": "Sm6 Sn26 Ru8",
"formula_reduced": "Sm3Sn13Ru4",
"formula_anonymous": "A3B4C13",
"energy": -222.69792144,
"energy_per_atom": -5.567448036,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -222.69792144,
"band_gap": 0.0,
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"total_magnetization": 0.035806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:44.012000Z",
"spacegroup": 223
}
]
}