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"updated_at": "2021-11-28T01:35:06.448000Z",
"spacegroup": 216
},
{
"id": "mp-1516595",
"created_at": "2022-09-04T14:40:37.924579Z",
"structure_string": "Na4 Sr4 La4 W4 O24\n1.0\n8.470587 0.000000 0.000000\n0.000000 8.513223 0.000000\n0.000000 0.000000 8.475482\nNa Sr La W O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 -0.000000 Na\n0.500000 0.500000 0.500000 Na\n-0.000000 0.500000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.750000 La\n0.250000 0.750000 0.250000 La\n0.750000 0.250000 0.250000 La\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.025357 0.202535 0.281537 O\n0.974643 0.797465 0.281537 O\n0.974643 0.202535 0.718463 O\n0.025357 0.797465 0.718463 O\n0.293129 0.027147 0.212684 O\n0.293129 0.972853 0.787316 O\n0.706871 0.972853 0.212684 O\n0.706871 0.027147 0.787316 O\n0.212664 0.292494 0.023846 O\n0.787336 0.292494 0.976154 O\n0.212664 0.707506 0.976154 O\n0.787336 0.707506 0.023846 O\n0.474643 0.297465 0.218463 O\n0.525357 0.702535 0.218463 O\n0.525357 0.297465 0.781537 O\n0.474643 0.702535 0.781537 O\n0.206871 0.472853 0.287316 O\n0.206871 0.527147 0.712684 O\n0.793129 0.527147 0.287316 O\n0.793129 0.472853 0.712684 O\n0.287336 0.207506 0.476154 O\n0.712664 0.207506 0.523846 O\n0.287336 0.792494 0.523846 O\n0.712664 0.792494 0.476154 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Na",
"Sr",
"La",
"W",
"O"
],
"chemical_system": "La-Na-O-Sr-W",
"density": 5.752828511888133,
"density_atomic": 0.0654467475076221,
"volume": 611.1839246914676,
"volume_molar": 9.201589061853143,
"formula_full": "Na4 Sr4 La4 W4 O24",
"formula_reduced": "NaSrLaWO6",
"formula_anonymous": "ABCDE6",
"energy": -317.23420741,
"energy_per_atom": -7.93085518525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.99420741,
"band_gap": 3.0666,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.182000Z",
"spacegroup": 48
}
]
}