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{
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"id": "mp-1207777",
"created_at": "2022-09-04T14:48:17.449347Z",
"structure_string": "Y12 Pd4\n1.0\n6.527969 0.000000 0.000000\n0.000000 7.088521 0.000000\n0.000000 0.000000 9.730905\nY Pd\n12 4\ndirect\n0.636676 0.025569 0.250000 Y\n0.363324 0.974431 0.750000 Y\n0.136676 0.474431 0.750000 Y\n0.863324 0.525569 0.250000 Y\n0.172578 0.181351 0.059339 Y\n0.827422 0.818649 0.940661 Y\n0.672578 0.318649 0.940661 Y\n0.827422 0.818649 0.559339 Y\n0.327422 0.681351 0.059339 Y\n0.172578 0.181351 0.440661 Y\n0.327422 0.681351 0.440661 Y\n0.672578 0.318649 0.559339 Y\n0.436615 0.388554 0.250000 Pd\n0.563385 0.611446 0.750000 Pd\n0.936615 0.111446 0.750000 Pd\n0.063385 0.888554 0.250000 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Y",
"Pd"
],
"chemical_system": "Pd-Y",
"density": 5.504160610762804,
"density_atomic": 0.03553309494058265,
"volume": 450.2844468446869,
"volume_molar": 16.947977005859013,
"formula_full": "Y12 Pd4",
"formula_reduced": "Y3Pd",
"formula_anonymous": "AB3",
"energy": -105.88549383,
"energy_per_atom": -6.617843364375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.88549383,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.18e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:40.515000Z",
"spacegroup": 62
}
]
}