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{
"id": "mp-1104388",
"created_at": "2022-09-04T14:39:14.254832Z",
"structure_string": "Y9 Pd6\n1.0\n6.080820 -4.418299 0.000000\n6.080820 4.418299 0.000000\n2.870502 0.000000 6.946794\nY Pd\n9 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.793864 0.793864 0.793864 Y\n0.206136 0.206136 0.206136 Y\n0.342800 0.607209 0.828567 Y\n0.828567 0.342800 0.607209 Y\n0.607209 0.828567 0.342800 Y\n0.657200 0.392791 0.171433 Y\n0.171433 0.657200 0.392791 Y\n0.392791 0.171433 0.657200 Y\n0.156016 0.957503 0.590977 Pd\n0.590977 0.156016 0.957503 Pd\n0.957503 0.590977 0.156016 Pd\n0.843984 0.042497 0.409023 Pd\n0.409023 0.843984 0.042497 Pd\n0.042497 0.409023 0.843984 Pd\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Y",
"Pd"
],
"chemical_system": "Pd-Y",
"density": 6.399991810618258,
"density_atomic": 0.040184594695370335,
"volume": 373.2773744195098,
"volume_molar": 14.986192608516744,
"formula_full": "Y9 Pd6",
"formula_reduced": "Y3Pd2",
"formula_anonymous": "A2B3",
"energy": -100.23500358,
"energy_per_atom": -6.682333572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.23500358,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1353483,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.918000Z",
"spacegroup": 148
}
]
}