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"structure_string": "Gd2\n1.0\n1.806967 -3.129758 0.000000\n1.806967 3.129758 0.000000\n0.000000 0.000000 5.770074\nGd\n2\ndirect\n0.333333 0.666667 0.250000 Gd\n0.666667 0.333333 0.750000 Gd\n",
"nsites": 2,
"nelements": 1,
"elements": [
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],
"chemical_system": "Gd",
"density": 8.001978666054116,
"density_atomic": 0.03064485971519747,
"volume": 65.26380014747319,
"volume_molar": 19.651389551029613,
"formula_full": "Gd2",
"formula_reduced": "Gd",
"formula_anonymous": "A",
"energy": -28.15224448,
"energy_per_atom": -14.07612224,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.15224448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.303261,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.854000Z",
"spacegroup": 194
},
{
"id": "mp-1194108",
"created_at": "2022-09-04T14:46:57.159547Z",
"structure_string": "Zr16 Rh8 N4\n1.0\n0.000000 6.237451 6.237451\n6.237451 0.000000 6.237451\n6.237451 6.237451 0.000000\nZr Rh N\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.817421 0.817421 0.182579 Zr\n0.182579 0.182579 0.817421 Zr\n0.817421 0.182579 0.817421 Zr\n0.182579 0.817421 0.182579 Zr\n0.182579 0.817421 0.817421 Zr\n0.817421 0.182579 0.182579 Zr\n0.432579 0.432579 0.067421 Zr\n0.067421 0.067421 0.432579 Zr\n0.432579 0.067421 0.432579 Zr\n0.067421 0.432579 0.067421 Zr\n0.067421 0.432579 0.432579 Zr\n0.432579 0.067421 0.067421 Zr\n0.773350 0.408883 0.408883 Rh\n0.408883 0.773350 0.408883 Rh\n0.408883 0.408883 0.773350 Rh\n0.408883 0.408883 0.408883 Rh\n0.476650 0.841117 0.841117 Rh\n0.841117 0.476650 0.841117 Rh\n0.841117 0.841117 0.476650 Rh\n0.841117 0.841117 0.841117 Rh\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n",
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"elements": [
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],
"chemical_system": "N-Rh-Zr",
"density": 8.002043758360665,
"density_atomic": 0.057690804453575155,
"volume": 485.34597957516974,
"volume_molar": 10.438649308220564,
"formula_full": "Zr16 Rh8 N4",
"formula_reduced": "Zr4Rh2N",
"formula_anonymous": "AB2C4",
"energy": -258.33014215000003,
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"updated_at": "2021-11-28T01:37:50.309000Z",
"spacegroup": 227
}
]
}