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{
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{
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{
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"structure_string": "Ba4 Ca4 Eu4 Nb4 O24\n1.0\n8.513150 0.000000 0.000000\n0.000000 8.470682 0.000000\n0.000000 0.000000 8.483193\nBa Ca Eu Nb O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.000000 Ba\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.750000 Ca\n0.250000 0.750000 0.250000 Ca\n0.750000 0.250000 0.250000 Ca\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.500000 0.000000 0.000000 Eu\n-0.000000 0.000000 0.500000 Eu\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.250000 Nb\n0.750000 0.250000 0.750000 Nb\n0.250000 0.750000 0.750000 Nb\n0.017336 0.188997 0.286956 O\n0.982664 0.811003 0.286956 O\n0.982664 0.188997 0.713044 O\n0.017336 0.811003 0.713044 O\n0.306335 0.017717 0.202599 O\n0.306335 0.982283 0.797401 O\n0.693665 0.982283 0.202599 O\n0.693665 0.017717 0.797401 O\n0.219592 0.283184 0.015972 O\n0.780408 0.283184 0.984028 O\n0.219592 0.716816 0.984028 O\n0.780408 0.716816 0.015972 O\n0.482664 0.311003 0.213044 O\n0.517336 0.688997 0.213044 O\n0.517336 0.311003 0.786956 O\n0.482664 0.688997 0.786956 O\n0.193665 0.482283 0.297401 O\n0.193665 0.517717 0.702599 O\n0.806335 0.517717 0.297401 O\n0.806335 0.482283 0.702599 O\n0.280408 0.216816 0.484028 O\n0.719592 0.216816 0.515972 O\n0.280408 0.783184 0.515972 O\n0.719592 0.783184 0.484028 O\n",
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{
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"density": 5.922241467661847,
"density_atomic": 0.06578344391926537,
"volume": 152.01393244587177,
"volume_molar": 9.154492986701708,
"formula_full": "Ba1 Li1 Nb1 Bi1 O6",
"formula_reduced": "BaLiNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -71.53624925,
"energy_per_atom": -7.153624925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.41424925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.965000Z",
"spacegroup": 216
},
{
"id": "mp-1520524",
"created_at": "2022-09-04T14:41:10.228326Z",
"structure_string": "Na1 Sr1 Tb1 V1 O6\n1.0\n-0.000000 -4.112980 -4.112980\n4.112980 -0.000000 -4.112980\n4.112980 -4.112980 -0.000000\nNa Sr Tb V O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 V\n0.729463 0.270537 0.270537 O\n0.270537 0.729463 0.729463 O\n0.729463 0.270537 0.729463 O\n0.270537 0.729463 0.270537 O\n0.729463 0.729463 0.270537 O\n0.270537 0.270537 0.729463 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Tb",
"V",
"O"
],
"chemical_system": "Na-O-Sr-Tb-V",
"density": 4.969768741095836,
"density_atomic": 0.071862150795772,
"volume": 139.15531179159123,
"volume_molar": 8.3801287511065,
"formula_full": "Na1 Sr1 Tb1 V1 O6",
"formula_reduced": "NaSrTbVO6",
"formula_anonymous": "ABCDE6",
"energy": -73.61741468,
"energy_per_atom": -7.361741468,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.79541468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.701000Z",
"spacegroup": 216
}
]
}