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"created_at": "2022-09-04T14:39:22.693277Z",
"structure_string": "Ba2 Ca2 Tb2 Sn2 O12\n1.0\n5.952667 -0.003365 0.019919\n-0.002003 6.033460 -0.015612\n0.028985 -0.022035 8.468659\nBa Ca Tb Sn O\n2 2 2 2 12\ndirect\n0.994095 0.032030 0.250456 Ba\n0.005905 0.967970 0.749544 Ba\n0.509858 0.539462 0.254056 Ca\n0.490142 0.460538 0.745944 Ca\n0.500000 0.000000 -0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.204633 0.226650 0.963423 O\n0.308611 0.713555 0.557219 O\n0.795367 0.773350 0.036577 O\n0.691389 0.286445 0.442781 O\n0.282244 0.696370 0.939127 O\n0.222800 0.205456 0.529438 O\n0.717756 0.303630 0.060873 O\n0.777200 0.794544 0.470562 O\n0.436147 0.936105 0.260465 O\n0.108261 0.497460 0.238190 O\n0.563853 0.063895 0.739535 O\n0.891739 0.502540 0.761810 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Tb",
"Sn",
"O"
],
"chemical_system": "Ba-Ca-O-Sn-Tb",
"density": 6.016930030825581,
"density_atomic": 0.06575750093115344,
"volume": 304.1478115316385,
"volume_molar": 9.158104664447391,
"formula_full": "Ba2 Ca2 Tb2 Sn2 O12",
"formula_reduced": "BaCaTbSnO6",
"formula_anonymous": "ABCDE6",
"energy": -142.0127611,
"energy_per_atom": -7.100638055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.7687611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.590000Z",
"spacegroup": 2
},
{
"id": "mp-1523236",
"created_at": "2022-09-04T14:46:11.559958Z",
"structure_string": "Ba1 Ce1 Eu1 Ni1 O6\n1.0\n0.000000 -4.132362 -4.132362\n4.132362 0.000000 -4.132362\n4.132362 -4.132362 -0.000000\nBa Ce Eu Ni O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 -0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Ni\n0.734467 0.265533 0.265533 O\n0.265533 0.734467 0.734467 O\n0.734467 0.265533 0.734467 O\n0.265533 0.734467 0.265533 O\n0.734467 0.734467 0.265533 O\n0.265533 0.265533 0.734467 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ce",
"Eu",
"Ni",
"O"
],
"chemical_system": "Ba-Ce-Eu-Ni-O",
"density": 6.872406675449634,
"density_atomic": 0.07085572181498624,
"volume": 141.1318626618657,
"volume_molar": 8.499159426707436,
"formula_full": "Ba1 Ce1 Eu1 Ni1 O6",
"formula_reduced": "BaCeEuNiO6",
"formula_anonymous": "ABCDE6",
"energy": -80.09498644000001,
"energy_per_atom": -8.009498644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.43198644,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.588000Z",
"spacegroup": 216
}
]
}