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{
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"updated_at": "2021-11-28T01:34:23.522000Z",
"spacegroup": 62
},
{
"id": "mp-1186368",
"created_at": "2022-09-04T14:39:31.235188Z",
"structure_string": "P1 Pt3\n1.0\n-1.950266 1.950266 4.081242\n1.950266 -1.950266 4.081242\n1.950266 1.950266 -4.081242\nP Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 P\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Pt"
],
"chemical_system": "P-Pt",
"density": 16.479685155819215,
"density_atomic": 0.06441988624495197,
"volume": 62.09262749689263,
"volume_molar": 9.348263573613346,
"formula_full": "P1 Pt3",
"formula_reduced": "PPt3",
"formula_anonymous": "AB3",
"energy": -23.02707996,
"energy_per_atom": -5.75676999,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -23.02707996,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:23.521000Z",
"spacegroup": 139
},
{
"id": "mp-581301",
"created_at": "2022-09-04T14:39:13.457662Z",
"structure_string": "Li8 Mg4 Mn12 O32\n1.0\n8.329952 0.000000 0.000000\n0.000000 8.329952 0.000000\n0.000000 0.000000 8.329952\nLi Mg Mn O\n8 4 12 32\ndirect\n0.496742 0.996742 0.503258 Li\n0.246742 0.246742 0.246742 Li\n0.253258 0.753258 0.746742 Li\n0.746742 0.253258 0.753258 Li\n0.996742 0.503258 0.496742 Li\n0.753258 0.746742 0.253258 Li\n0.503258 0.496742 0.996742 Li\n0.003258 0.003258 0.003258 Li\n0.375000 0.125000 0.875000 Mg\n0.125000 0.875000 0.375000 Mg\n0.875000 0.375000 0.125000 Mg\n0.625000 0.625000 0.625000 Mg\n0.125000 0.380136 0.869864 Mn\n0.375000 0.619864 0.369864 Mn\n0.630136 0.875000 0.880136 Mn\n0.619864 0.369864 0.375000 Mn\n0.380136 0.869864 0.125000 Mn\n0.880136 0.630136 0.875000 Mn\n0.875000 0.880136 0.630136 Mn\n0.625000 0.119864 0.130136 Mn\n0.119864 0.130136 0.625000 Mn\n0.130136 0.625000 0.119864 Mn\n0.369864 0.375000 0.619864 Mn\n0.869864 0.125000 0.380136 Mn\n0.124964 0.392664 0.099211 O\n0.607336 0.599211 0.375036 O\n0.392664 0.099211 0.124964 O\n0.624964 0.107336 0.900789 O\n0.099211 0.124964 0.392664 O\n0.365646 0.634354 0.134354 O\n0.150789 0.857336 0.125036 O\n0.875036 0.892664 0.400789 O\n0.400789 0.875036 0.892664 O\n0.599211 0.375036 0.607336 O\n0.384354 0.384354 0.384354 O\n0.374964 0.849211 0.357336 O\n0.900789 0.624964 0.107336 O\n0.857336 0.125036 0.150789 O\n0.892664 0.400789 0.875036 O\n0.142664 0.625036 0.349211 O\n0.650789 0.642664 0.874964 O\n0.615646 0.884354 0.115646 O\n0.357336 0.374964 0.849211 O\n0.874964 0.650789 0.642664 O\n0.625036 0.349211 0.142664 O\n0.634354 0.134354 0.365646 O\n0.849211 0.357336 0.374964 O\n0.884354 0.115646 0.615646 O\n0.115646 0.615646 0.884354 O\n0.375036 0.607336 0.599211 O\n0.107336 0.900789 0.624964 O\n0.349211 0.142664 0.625036 O\n0.134354 0.365646 0.634354 O\n0.642664 0.874964 0.650789 O\n0.865646 0.865646 0.865646 O\n0.125036 0.150789 0.857336 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
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"Mg",
"Mn",
"O"
],
"chemical_system": "Li-Mg-Mn-O",
"density": 3.8036870434954486,
"density_atomic": 0.09688588940770985,
"volume": 577.999545055977,
"volume_molar": 6.215704677755457,
"formula_full": "Li8 Mg4 Mn12 O32",
"formula_reduced": "Li2MgMn3O8",
"formula_anonymous": "AB2C3D8",
"energy": -414.18271582,
"energy_per_atom": -7.396119925357143,
"energy_above_hull": null,
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"total_magnetization": 36.0008589,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.521000Z",
"spacegroup": 212
}
]
}