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{
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{
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"structure_string": "Er4 Tc4 O14\n1.0\n0.000000 5.131468 5.131468\n5.131468 0.000000 5.131468\n5.131468 5.131468 0.000000\nEr Tc O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Er\n0.125000 0.625000 0.125000 Er\n0.125000 0.125000 0.125000 Er\n0.125000 0.125000 0.625000 Er\n0.625000 0.125000 0.625000 Tc\n0.125000 0.625000 0.625000 Tc\n0.625000 0.625000 0.125000 Tc\n0.625000 0.625000 0.625000 Tc\n0.000000 0.000000 0.000000 O\n0.535122 0.964878 0.964878 O\n0.714878 0.714878 0.285122 O\n0.714878 0.285122 0.714878 O\n0.535122 0.535122 0.964878 O\n0.285122 0.714878 0.285122 O\n0.285122 0.714878 0.714878 O\n0.964878 0.535122 0.964878 O\n0.250000 0.250000 0.250000 O\n0.285122 0.285122 0.714878 O\n0.535122 0.964878 0.535122 O\n0.964878 0.964878 0.535122 O\n0.964878 0.535122 0.535122 O\n0.714878 0.285122 0.285122 O\n",
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{
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"structure_string": "Er8 Rh2\n1.0\n-5.342590 -5.342590 0.000000\n-5.342590 0.000000 -5.342590\n0.000000 -5.342590 -5.342590\nEr Rh\n8 2\ndirect\n0.611042 0.611042 0.611042 Er\n0.166873 0.611042 0.611042 Er\n0.611042 0.166873 0.611042 Er\n0.583127 0.138958 0.138958 Er\n0.138958 0.138958 0.138958 Er\n0.611042 0.611042 0.166873 Er\n0.138958 0.583127 0.138958 Er\n0.138958 0.138958 0.583127 Er\n0.000000 0.000000 0.000000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
"id": "mp-2098",
"created_at": "2022-09-04T14:41:04.170264Z",
"structure_string": "Ce2 Os4\n1.0\n0.000000 3.816879 3.816879\n3.816879 0.000000 3.816879\n3.816879 3.816879 0.000000\nCe Os\n2 4\ndirect\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Ce\n0.125000 0.625000 0.125000 Os\n0.125000 0.125000 0.625000 Os\n0.625000 0.125000 0.125000 Os\n0.125000 0.125000 0.125000 Os\n",
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{
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{
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"formula_full": "Sc4 Pt4 O14",
"formula_reduced": "Sc2Pt2O7",
"formula_anonymous": "A2B2C7",
"energy": -170.71250939,
"energy_per_atom": -7.759659517727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.09450939,
"band_gap": 1.8009000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.094000Z",
"spacegroup": 227
}
]
}