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{
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{
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{
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{
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"created_at": "2022-09-04T14:37:36.693459Z",
"updated_at": "2022-09-04T14:37:36.693496Z",
"structure_string": "P12 Pd4\n1.0\n-4.129390 -4.129390 4.129390\n-4.129390 4.129390 -4.129390\n4.129390 -4.129390 -4.129390\nP Pd\n12 4\ndirect\n0.865029 0.636712 0.501741 P\n0.134971 0.363288 0.498259 P\n0.134971 0.636712 0.771683 P\n0.865029 0.363288 0.228317 P\n0.636712 0.501741 0.865029 P\n0.363288 0.498259 0.134971 P\n0.636712 0.771683 0.134971 P\n0.363288 0.228317 0.865029 P\n0.501741 0.865029 0.636712 P\n0.498259 0.134971 0.363288 P\n0.771683 0.134971 0.636712 P\n0.228317 0.865029 0.363288 P\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"Pd"
],
"chemical_system": "P-Pd",
"density": 4.700982645888318,
"density_atomic": 0.056807056444172846,
"volume": 281.6551499323681,
"volume_molar": 10.601043491697657,
"formula_full": "P12 Pd4",
"formula_reduced": "P3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 2.58212555,
"spacegroup": 204
}
]
}