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{
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"created_at": "2022-09-04T14:47:04.496473Z",
"structure_string": "Ho5 Mg24\n1.0\n-5.630727 5.630727 5.630727\n5.630727 -5.630727 5.630727\n5.630727 5.630727 -5.630727\nHo Mg\n5 24\ndirect\n0.000000 0.000000 0.000000 Ho\n0.631378 0.000000 0.000000 Ho\n0.000000 0.631378 0.000000 Ho\n0.000000 0.000000 0.631378 Ho\n0.368622 0.368622 0.368622 Ho\n0.393792 0.678605 0.000000 Mg\n0.715187 0.321395 0.321395 Mg\n0.393791 0.000000 0.678605 Mg\n0.678605 0.393792 0.000000 Mg\n0.000000 0.393791 0.678605 Mg\n0.321395 0.715187 0.321395 Mg\n0.321395 0.321395 0.715187 Mg\n0.000000 0.678605 0.393792 Mg\n0.678605 0.000000 0.393792 Mg\n0.606208 0.606208 0.284813 Mg\n0.284813 0.606208 0.606208 Mg\n0.606208 0.284813 0.606208 Mg\n0.370653 0.191465 0.000000 Mg\n0.179188 0.808535 0.808535 Mg\n0.370653 0.000000 0.191465 Mg\n0.191465 0.370653 0.000000 Mg\n0.000000 0.370653 0.191465 Mg\n0.808535 0.179188 0.808535 Mg\n0.808535 0.808535 0.179188 Mg\n0.000000 0.191465 0.370653 Mg\n0.191465 0.000000 0.370653 Mg\n0.629347 0.629347 0.820812 Mg\n0.820812 0.629347 0.629347 Mg\n0.629347 0.820812 0.629347 Mg\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Ho",
"Mg"
],
"chemical_system": "Ho-Mg",
"density": 3.2740822574225463,
"density_atomic": 0.04061108493978828,
"volume": 714.0907474645563,
"volume_molar": 14.828810333259211,
"formula_full": "Ho5 Mg24",
"formula_reduced": "Ho5Mg24",
"formula_anonymous": "A5B24",
"energy": -62.357178170000005,
"energy_per_atom": -2.1502475231034484,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.357178170000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0208463,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.583000Z",
"spacegroup": 217
},
{
"id": "mp-1072655",
"created_at": "2022-09-04T14:47:04.496962Z",
"structure_string": "Zr2 Cu4\n1.0\n2.345155 -4.276204 0.000000\n2.345155 4.276204 0.000000\n0.000000 0.000000 4.638390\nZr Cu\n2 4\ndirect\n0.234170 0.234170 0.750000 Zr\n0.765830 0.765830 0.250000 Zr\n0.536158 0.897970 0.750000 Cu\n0.897970 0.536158 0.750000 Cu\n0.102030 0.463842 0.250000 Cu\n0.463842 0.102030 0.250000 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Cu"
],
"chemical_system": "Cu-Zr",
"density": 7.793587824653846,
"density_atomic": 0.06449469977698438,
"volume": 93.0309005351966,
"volume_molar": 9.337419634208555,
"formula_full": "Zr2 Cu4",
"formula_reduced": "ZrCu2",
"formula_anonymous": "AB2",
"energy": -34.19798432,
"energy_per_atom": -5.699664053333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.19798432,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.29e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.128000Z",
"spacegroup": 63
}
]
}