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"elements": [
"Dy",
"H",
"O"
],
"chemical_system": "Dy-H-O",
"density": 6.579254804313876,
"density_atomic": 0.0810635961525964,
"volume": 197.37589694245924,
"volume_molar": 7.428908962617146,
"formula_full": "Dy4 H4 O8",
"formula_reduced": "DyHO2",
"formula_anonymous": "ABC2",
"energy": -119.34883863,
"energy_per_atom": -7.459302414375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.85283863,
"band_gap": 4.5215,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.469000Z",
"spacegroup": 62
},
{
"id": "mp-1096144",
"created_at": "2022-09-04T14:45:13.917664Z",
"structure_string": "Zr1 Ta1 Mn2\n1.0\n-4.900328 5.472397 7.830917\n4.900328 -5.472397 7.830917\n4.900328 5.472397 -7.830917\nZr Ta Mn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Ta\n0.000000 0.257335 0.257335 Mn\n0.000000 0.742665 0.742665 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Mn"
],
"chemical_system": "Mn-Ta-Zr",
"density": 0.7552515675089287,
"density_atomic": 0.004761947825893364,
"volume": 839.9924035811083,
"volume_molar": 126.46381229240406,
"formula_full": "Zr1 Ta1 Mn2",
"formula_reduced": "ZrTaMn2",
"formula_anonymous": "ABC2",
"energy": -23.94017498,
"energy_per_atom": -5.985043745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.94017498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6343563,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.380000Z",
"spacegroup": 71
}
]
}