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{
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{
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{
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{
"id": "mp-568177",
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"structure_string": "Ca1 Al1 Si1 H1\n1.0\n2.071640 -3.588186 0.000000\n2.071640 3.588186 0.000000\n0.000000 0.000000 4.698226\nCa Al Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.000079 Ca\n0.666667 0.333333 0.542888 Al\n0.333333 0.666667 0.434108 Si\n0.666667 0.333333 0.916225 H\n",
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{
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{
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"chemical_system": "Al-Nd",
"density": 5.757157789053084,
"density_atomic": 0.03297071504138241,
"volume": 181.97967476499198,
"volume_molar": 18.26512028156336,
"formula_full": "Nd4 Al2",
"formula_reduced": "Nd2Al",
"formula_anonymous": "AB2",
"energy": -24.360345780000003,
"energy_per_atom": -4.06005763,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.360345780000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0713027,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.802000Z",
"spacegroup": 227
}
]
}