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"structure_string": "Na1 Sr1 Dy1 Fe1 O6\n1.0\n0.000000 -4.061984 -4.061984\n4.061984 -0.000000 -4.061984\n4.061984 -4.061984 0.000000\nNa Sr Dy Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Fe\n0.729752 0.270248 0.270248 O\n0.270248 0.729752 0.729752 O\n0.729752 0.270248 0.729752 O\n0.270248 0.729752 0.270248 O\n0.729752 0.729752 0.270248 O\n0.270248 0.270248 0.729752 O\n",
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"nelements": 5,
"elements": [
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"Dy",
"Fe",
"O"
],
"chemical_system": "Dy-Fe-Na-O-Sr",
"density": 5.2643348425516105,
"density_atomic": 0.07460284317910693,
"volume": 134.0431486772152,
"volume_molar": 8.072267092477977,
"formula_full": "Na1 Sr1 Dy1 Fe1 O6",
"formula_reduced": "NaSrDyFeO6",
"formula_anonymous": "ABCDE6",
"energy": -68.29590182,
"energy_per_atom": -6.829590182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.91790182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.872000Z",
"spacegroup": 216
},
{
"id": "mp-1517448",
"created_at": "2022-09-04T14:41:04.510965Z",
"structure_string": "Ba1 Sr1 Tb1 Se1 O6\n1.0\n-0.000000 -4.184161 -4.184161\n4.184161 0.000000 -4.184161\n4.184161 -4.184161 0.000000\nBa Sr Tb Se O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Se\n0.766127 0.233873 0.233873 O\n0.233873 0.766127 0.766127 O\n0.766127 0.233873 0.766127 O\n0.233873 0.766127 0.233873 O\n0.766127 0.766127 0.233873 O\n0.233873 0.233873 0.766127 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Ba-O-Se-Sr-Tb",
"density": 6.333921570668471,
"density_atomic": 0.06825663009383016,
"volume": 146.5059143156251,
"volume_molar": 8.822792381811935,
"formula_full": "Ba1 Sr1 Tb1 Se1 O6",
"formula_reduced": "BaSrTbSeO6",
"formula_anonymous": "ABCDE6",
"energy": -67.98933951000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.637000Z",
"spacegroup": 216
}
]
}