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{
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"id": "mp-780342",
"created_at": "2022-09-04T14:48:17.040809Z",
"structure_string": "Gd8 Zr8 O28\n1.0\n6.985506 0.000000 0.000000\n0.000000 7.509094 0.000000\n0.000000 1.842957 12.036943\nGd Zr O\n8 8 28\ndirect\n0.889957 0.524611 0.638731 Gd\n0.389957 0.475389 0.861269 Gd\n0.679351 0.745923 0.386961 Gd\n0.179351 0.254077 0.113039 Gd\n0.820649 0.745923 0.886961 Gd\n0.320649 0.254077 0.613039 Gd\n0.610043 0.524611 0.138731 Gd\n0.110043 0.475389 0.361269 Gd\n0.858390 0.248969 0.898412 Zr\n0.358390 0.751031 0.601588 Zr\n0.112404 0.947542 0.386241 Zr\n0.612404 0.052458 0.113759 Zr\n0.387596 0.947542 0.886241 Zr\n0.887596 0.052458 0.613759 Zr\n0.641610 0.248969 0.398412 Zr\n0.141610 0.751031 0.101588 Zr\n0.680021 0.006894 0.935886 O\n0.228981 0.523573 0.674697 O\n0.103150 0.377649 0.931833 O\n0.060954 0.813083 0.252079 O\n0.606810 0.802257 0.202854 O\n0.603150 0.622351 0.568167 O\n0.728981 0.476427 0.825303 O\n0.998967 0.687436 0.471174 O\n0.381189 0.839302 0.423731 O\n0.439046 0.813083 0.752079 O\n0.180021 0.993106 0.564114 O\n0.893190 0.802257 0.702854 O\n0.501033 0.687436 0.971174 O\n0.118811 0.839302 0.923731 O\n0.881189 0.160698 0.076269 O\n0.498967 0.312564 0.028826 O\n0.106810 0.197743 0.297146 O\n0.819979 0.006894 0.435886 O\n0.560954 0.186917 0.247921 O\n0.618811 0.160698 0.576269 O\n0.001033 0.312564 0.528826 O\n0.271019 0.523573 0.174697 O\n0.396850 0.377649 0.431833 O\n0.393190 0.197743 0.797146 O\n0.939046 0.186917 0.747921 O\n0.896850 0.622351 0.068167 O\n0.771019 0.476427 0.325303 O\n0.319979 0.993106 0.064114 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Gd",
"Zr",
"O"
],
"chemical_system": "Gd-O-Zr",
"density": 6.405966850023104,
"density_atomic": 0.06968688653513017,
"volume": 631.395692758048,
"volume_molar": 8.641713038742449,
"formula_full": "Gd8 Zr8 O28",
"formula_reduced": "Gd2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy": -485.73051467,
"energy_per_atom": -11.039329878863636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -466.49451467,
"band_gap": 3.1543,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 56.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:54.686000Z",
"spacegroup": 14
}
]
}