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"id": "mp-1521122",
"created_at": "2022-09-04T14:43:13.098991Z",
"structure_string": "Ba4 Ca4 Eu4 Sb4 O24\n1.0\n8.426708 0.000000 0.000000\n0.000000 8.463606 0.000000\n0.000000 0.000000 8.419525\nBa Ca Eu Sb O\n4 4 4 4 24\ndirect\n0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 -0.000000 Ca\n-0.000000 0.500000 -0.000000 Ca\n-0.000000 0.000000 0.500000 Ca\n0.754340 0.750498 0.750404 Eu\n0.245660 0.249502 0.750404 Eu\n0.245660 0.750498 0.249596 Eu\n0.754340 0.249502 0.249596 Eu\n0.244482 0.249373 0.250685 Sb\n0.755518 0.750627 0.250685 Sb\n0.755518 0.249373 0.749315 Sb\n0.244482 0.750627 0.749315 Sb\n0.016455 0.195991 0.293365 O\n0.983545 0.804009 0.293365 O\n0.983545 0.195991 0.706635 O\n0.016455 0.804009 0.706635 O\n0.290523 0.019147 0.198889 O\n0.290523 0.980853 0.801111 O\n0.709477 0.980853 0.198889 O\n0.709477 0.019147 0.801111 O\n0.198619 0.295692 0.019645 O\n0.801381 0.295692 0.980355 O\n0.198619 0.704308 0.980355 O\n0.801381 0.704308 0.019645 O\n0.480931 0.281922 0.224411 O\n0.519069 0.718078 0.224411 O\n0.519069 0.281922 0.775589 O\n0.480931 0.718078 0.775589 O\n0.204538 0.482027 0.294590 O\n0.204538 0.517973 0.705410 O\n0.795462 0.517973 0.294590 O\n0.795462 0.482027 0.705410 O\n0.278643 0.220557 0.484423 O\n0.721357 0.220557 0.515577 O\n0.278643 0.779443 0.515577 O\n0.721357 0.779443 0.484423 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ba-Ca-Eu-O-Sb",
"density": 6.05194527446702,
"density_atomic": 0.06661300375974515,
"volume": 600.4833552359993,
"volume_molar": 9.040488223170678,
"formula_full": "Ba4 Ca4 Eu4 Sb4 O24",
"formula_reduced": "BaCaEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -305.02287239,
"energy_per_atom": -7.625571809749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -288.53487239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9999994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.252000Z",
"spacegroup": 16
}
]
}