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{
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"structure_string": "Sr1 Ca1 Nd1 Fe1 O6\n1.0\n0.000000 -4.023372 -4.023372\n4.023372 0.000000 -4.023372\n4.023372 -4.023372 0.000000\nSr Ca Nd Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Nd\n0.500000 0.500000 0.500000 Fe\n0.730346 0.269654 0.269654 O\n0.269654 0.730346 0.730346 O\n0.730346 0.269654 0.730346 O\n0.269654 0.730346 0.269654 O\n0.730346 0.730346 0.269654 O\n0.269654 0.269654 0.730346 O\n",
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"nelements": 5,
"elements": [
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"Ca",
"Nd",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Nd-O-Sr",
"density": 5.402445888039461,
"density_atomic": 0.07677139581232209,
"volume": 130.25684754314398,
"volume_molar": 7.844250708586733,
"formula_full": "Sr1 Ca1 Nd1 Fe1 O6",
"formula_reduced": "SrCaNdFeO6",
"formula_anonymous": "ABCDE6",
"energy": -72.21255488,
"energy_per_atom": -7.221255488,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.83455488,
"band_gap": 0.7082000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.848000Z",
"spacegroup": 216
},
{
"id": "mp-1518257",
"created_at": "2022-09-04T14:39:36.632569Z",
"structure_string": "Eu1 Zr1 V1 Sn1 O6\n1.0\n-0.000000 -4.044755 -4.044755\n4.044755 0.000000 -4.044755\n4.044755 -4.044755 0.000000\nEu Zr V Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Eu\n-0.000000 -0.000000 -0.000000 Zr\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Sn\n0.741292 0.258708 0.258708 O\n0.258708 0.741292 0.741292 O\n0.741292 0.258708 0.741292 O\n0.258708 0.741292 0.258708 O\n0.741292 0.741292 0.258708 O\n0.258708 0.258708 0.741292 O\n",
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"nelements": 5,
"elements": [
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"V",
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"O"
],
"chemical_system": "Eu-O-Sn-V-Zr",
"density": 6.384401408883164,
"density_atomic": 0.07556024243950447,
"volume": 132.34473153002736,
"volume_molar": 7.96998602118235,
"formula_full": "Eu1 Zr1 V1 Sn1 O6",
"formula_reduced": "EuZrVSnO6",
"formula_anonymous": "ABCDE6",
"energy": -89.22064793000001,
"energy_per_atom": -8.922064793,
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"formation_energy": null,
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"band_gap": 0.0,
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"total_magnetization": 7.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.598000Z",
"spacegroup": 216
}
]
}