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{
"id": "mp-19721",
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{
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{
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{
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"structure_string": "Hf2 C1 N1\n1.0\n5.392355 -1.626499 0.000000\n5.392355 1.626499 0.000000\n4.901754 0.000000 2.774131\nHf C N\n2 1 1\ndirect\n0.748786 0.748786 0.748786 Hf\n0.251214 0.251214 0.251214 Hf\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.500000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"C",
"N"
],
"chemical_system": "C-Hf-N",
"density": 13.069401070247894,
"density_atomic": 0.0821997986629951,
"volume": 48.66191967694843,
"volume_molar": 7.326223248659929,
"formula_full": "Hf2 C1 N1",
"formula_reduced": "Hf2CN",
"formula_anonymous": "ABC2",
"energy": -43.48873679,
"energy_per_atom": -10.8721841975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.12773679,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004878,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.465000Z",
"spacegroup": 166
},
{
"id": "mp-1224285",
"created_at": "2022-09-04T14:43:10.030191Z",
"structure_string": "Hf1 Ta1 C2\n1.0\n5.361020 -1.608679 0.000000\n5.361020 1.608679 0.000000\n4.878304 0.000000 2.744182\nHf Ta C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ta\n0.246933 0.246933 0.246933 C\n0.753067 0.753067 0.753067 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ta",
"C"
],
"chemical_system": "C-Hf-Ta",
"density": 13.452674155630627,
"density_atomic": 0.08450847494588573,
"volume": 47.33253088002553,
"volume_molar": 7.126079087164011,
"formula_full": "Hf1 Ta1 C2",
"formula_reduced": "HfTaC2",
"formula_anonymous": "ABC2",
"energy": -43.49287669,
"energy_per_atom": -10.8732191725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.49287669,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036221,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.764000Z",
"spacegroup": 166
}
]
}