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"density": 8.830284574992229,
"density_atomic": 0.033795592332731716,
"volume": 946.8690379782855,
"volume_molar": 17.81930821247194,
"formula_full": "Tl20 Se12",
"formula_reduced": "Tl5Se3",
"formula_anonymous": "A3B5",
"energy": -105.29908413,
"energy_per_atom": -3.2905963790625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.63508413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.959000Z",
"spacegroup": 130
},
{
"id": "mp-1235296",
"created_at": "2022-09-04T14:42:40.089718Z",
"structure_string": "Li1 Cu2 Rh4 O8\n1.0\n5.517020 -0.242917 -2.983241\n-3.498289 5.199188 -0.299853\n-0.164243 0.245444 6.267397\nLi Cu Rh O\n1 2 4 8\ndirect\n0.499925 0.249989 0.749931 Li\n0.000337 0.000641 0.000292 Cu\n0.500380 0.749747 0.250343 Cu\n0.763587 0.381795 0.145491 Rh\n0.763698 0.381832 0.618039 Rh\n0.236273 0.381940 0.618160 Rh\n0.236258 0.854315 0.618128 Rh\n0.226186 0.612883 0.386156 O\n0.773618 0.159903 0.386537 O\n0.729612 0.134754 0.864676 O\n0.773614 0.613664 0.386918 O\n0.226300 0.613319 0.840049 O\n0.270252 0.135256 0.865212 O\n0.270280 0.135001 0.405089 O\n0.729681 0.594960 0.864982 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Cu",
"Rh",
"O"
],
"chemical_system": "Cu-Li-O-Rh",
"density": 6.397382409570779,
"density_atomic": 0.0857847382349852,
"volume": 174.85627756899325,
"volume_molar": 7.020060775267386,
"formula_full": "Li1 Cu2 Rh4 O8",
"formula_reduced": "LiCu2(RhO2)4",
"formula_anonymous": "AB2C4D8",
"energy": -91.48104812,
"energy_per_atom": -6.098736541333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.98504812,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.989882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.309000Z",
"spacegroup": 216
}
]
}