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"structure_string": "Ba1 La1 Mn1 In1 O6\n1.0\n-0.000000 -4.225732 -4.225732\n4.225732 -0.000000 -4.225732\n4.225732 -4.225732 0.000000\nBa La Mn In O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 -0.000000 -0.000000 La\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 In\n0.725561 0.274439 0.274439 O\n0.274439 0.725561 0.725561 O\n0.725561 0.274439 0.725561 O\n0.274439 0.725561 0.274439 O\n0.725561 0.725561 0.274439 O\n0.274439 0.274439 0.725561 O\n",
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"elements": [
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"La",
"Mn",
"In",
"O"
],
"chemical_system": "Ba-In-La-Mn-O",
"density": 5.963489380207151,
"density_atomic": 0.06626194103720282,
"volume": 150.91619477892283,
"volume_molar": 9.088385679222505,
"formula_full": "Ba1 La1 Mn1 In1 O6",
"formula_reduced": "BaLaMnInO6",
"formula_anonymous": "ABCDE6",
"energy": -71.1025268,
"energy_per_atom": -7.11025268,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.3125268,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1139111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.635000Z",
"spacegroup": 216
},
{
"id": "mp-1517547",
"created_at": "2022-09-04T14:41:34.392165Z",
"structure_string": "Ba1 Na1 Sn1 Bi1 O6\n1.0\n0.000000 -4.202731 -4.202731\n4.202731 0.000000 -4.202731\n4.202731 -4.202731 0.000000\nBa Na Sn Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Bi\n0.746995 0.253005 0.253005 O\n0.253005 0.746995 0.746995 O\n0.746995 0.253005 0.746995 O\n0.253005 0.746995 0.253005 O\n0.746995 0.746995 0.253005 O\n0.253005 0.253005 0.746995 O\n",
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"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Ba-Bi-Na-O-Sn",
"density": 6.531904445873416,
"density_atomic": 0.06735583494123061,
"volume": 148.46523703143478,
"volume_molar": 8.940785553700648,
"formula_full": "Ba1 Na1 Sn1 Bi1 O6",
"formula_reduced": "BaNaSnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -60.67608494,
"energy_per_atom": -6.067608494,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -56.55408494,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.275000Z",
"spacegroup": 216
}
]
}