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{
"id": "mp-1093536",
"created_at": "2022-09-04T14:43:03.246825Z",
"structure_string": "Ca1 Rh2 Pb1\n1.0\n-5.025169 5.866425 8.169366\n5.025169 -5.866425 8.169366\n5.025169 5.866425 -8.169366\nCa Rh Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.247661 0.247661 Rh\n0.000000 0.752339 0.752339 Rh\n0.000000 0.500000 0.500000 Pb\n",
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{
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"structure_string": "Li1 In1 Hg2\n1.0\n-5.780514 5.799187 8.289156\n5.780514 -5.799187 8.289156\n5.780514 5.799187 -8.289156\nLi In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 In\n0.000000 0.233308 0.233308 Hg\n0.000000 0.766692 0.766692 Hg\n",
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{
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{
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{
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{
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"energy_uncorrected": -21.54869369,
"band_gap": 0.0306000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0113588,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:36.873000Z",
"spacegroup": 71
},
{
"id": "mp-1097535",
"created_at": "2022-09-04T14:44:09.350807Z",
"structure_string": "Hf1 Ti1 Ni2\n1.0\n-4.709506 5.072486 7.622143\n4.709506 -5.072486 7.622143\n4.709506 5.072486 -7.622143\nHf Ti Ni\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ti\n0.000000 0.267336 0.267336 Ni\n0.000000 0.732664 0.732664 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ti",
"Ni"
],
"chemical_system": "Hf-Ni-Ti",
"density": 0.783701496112864,
"density_atomic": 0.0054919515348876,
"volume": 728.3385467970751,
"volume_molar": 109.65393124364583,
"formula_full": "Hf1 Ti1 Ni2",
"formula_reduced": "HfTiNi2",
"formula_anonymous": "ABC2",
"energy": -17.88817497,
"energy_per_atom": -4.4720437425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.88817497,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1803795,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.341000Z",
"spacegroup": 71
}
]
}