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"structure_string": "K4 Sm4 Eu4 Sb4 O24\n1.0\n8.437602 0.000000 0.000000\n0.000000 8.390373 0.000000\n0.000000 0.000000 8.501702\nK Sm Eu Sb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 -0.000000 0.000000 K\n0.000000 -0.000000 0.500000 K\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.250000 Sm\n0.750000 0.250000 0.750000 Sm\n0.250000 0.750000 0.750000 Sm\n0.500000 -0.000000 0.500000 Eu\n0.000000 0.500000 0.000000 Eu\n0.000000 -0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.750000 0.750000 0.750000 Sb\n0.250000 0.250000 0.750000 Sb\n0.250000 0.750000 0.250000 Sb\n0.750000 0.250000 0.250000 Sb\n0.982816 0.212072 0.268888 O\n0.017184 0.787928 0.268888 O\n0.017184 0.212072 0.731112 O\n0.982816 0.787928 0.731112 O\n0.276189 0.982898 0.213105 O\n0.276189 0.017102 0.786895 O\n0.723811 0.017102 0.213105 O\n0.723811 0.982898 0.786895 O\n0.194789 0.284071 0.983519 O\n0.805211 0.284071 0.016481 O\n0.194789 0.715929 0.016481 O\n0.805211 0.715929 0.983519 O\n0.517184 0.287928 0.231112 O\n0.482816 0.712072 0.231112 O\n0.482816 0.287928 0.768888 O\n0.517184 0.712072 0.768888 O\n0.223811 0.517102 0.286895 O\n0.223811 0.482898 0.713105 O\n0.776189 0.482898 0.286895 O\n0.776189 0.517102 0.713105 O\n0.305211 0.215929 0.516481 O\n0.694789 0.215929 0.483519 O\n0.305211 0.784071 0.483519 O\n0.694789 0.784071 0.516481 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"Sm",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-K-O-Sb-Sm",
"density": 6.170971301677785,
"density_atomic": 0.06645900106257016,
"volume": 601.8748305040065,
"volume_molar": 9.061437372990671,
"formula_full": "K4 Sm4 Eu4 Sb4 O24",
"formula_reduced": "KSmEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -306.96376575,
"energy_per_atom": -7.67409414375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -290.47576575,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0003247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.383000Z",
"spacegroup": 48
},
{
"id": "mp-1519047",
"created_at": "2022-09-04T14:39:36.144788Z",
"structure_string": "Sr1 Ca1 Tb1 Sb1 O6\n1.0\n0.000000 -4.189120 -4.189120\n4.189120 -0.000000 -4.189120\n4.189120 -4.189120 0.000000\nSr Ca Tb Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n0.763045 0.236955 0.236955 O\n0.236955 0.763045 0.763045 O\n0.763045 0.236955 0.763045 O\n0.236955 0.763045 0.236955 O\n0.763045 0.763045 0.236955 O\n0.236955 0.236955 0.763045 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Tb",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb-Sr-Tb",
"density": 5.696503129652135,
"density_atomic": 0.06801451425914862,
"volume": 147.02744125905306,
"volume_molar": 8.854199468446492,
"formula_full": "Sr1 Ca1 Tb1 Sb1 O6",
"formula_reduced": "SrCaTbSbO6",
"formula_anonymous": "ABCDE6",
"energy": -71.9792864,
"energy_per_atom": -7.197928640000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.8572864,
"band_gap": 3.3076000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.946000Z",
"spacegroup": 216
}
]
}