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{
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{
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{
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{
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{
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"structure_string": "Ca1 Mg1\n1.0\n1.834059 -3.176684 0.000000\n1.834059 3.176684 0.000000\n0.000000 0.000000 5.622298\nCa Mg\n1 1\ndirect\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.000000 Mg\n",
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{
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"id": "mp-1095822",
"created_at": "2022-09-04T14:45:34.571751Z",
"structure_string": "Zr2 Pt1 Rh1\n1.0\n-4.867828 5.617253 7.983991\n4.867828 -5.617253 7.983991\n4.867828 5.617253 -7.983991\nZr Pt Rh\n2 1 1\ndirect\n0.000000 0.242692 0.242692 Zr\n0.000000 0.757308 0.757308 Zr\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Pt",
"Rh"
],
"chemical_system": "Pt-Rh-Zr",
"density": 0.9135803640188698,
"density_atomic": 0.004580582947496767,
"volume": 873.2512970179813,
"volume_molar": 131.4710557373713,
"formula_full": "Zr2 Pt1 Rh1",
"formula_reduced": "Zr2PtRh",
"formula_anonymous": "ABC2",
"energy": -20.69549106,
"energy_per_atom": -5.173872765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.69549106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9995751,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.422000Z",
"spacegroup": 71
}
]
}