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"structure_string": "Na1 Sr1 Co1 Bi1 O6\n1.0\n0.000000 -4.072659 -4.072659\n4.072659 0.000000 -4.072659\n4.072659 -4.072659 0.000000\nNa Sr Co Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Co\n-0.000000 -0.000000 -0.000000 Bi\n0.738472 0.261528 0.261528 O\n0.261528 0.738472 0.738472 O\n0.738472 0.261528 0.738472 O\n0.261528 0.738472 0.261528 O\n0.738472 0.738472 0.261528 O\n0.261528 0.261528 0.738472 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Co",
"Bi",
"O"
],
"chemical_system": "Bi-Co-Na-O-Sr",
"density": 5.832292039300185,
"density_atomic": 0.07401774650951297,
"volume": 135.10273510846176,
"volume_molar": 8.136076878841505,
"formula_full": "Na1 Sr1 Co1 Bi1 O6",
"formula_reduced": "NaSrCoBiO6",
"formula_anonymous": "ABCDE6",
"energy": -59.66073228,
"energy_per_atom": -5.966073228,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.90073228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9501375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:46.277000Z",
"spacegroup": 216
},
{
"id": "mp-690567",
"created_at": "2022-09-04T14:47:20.559278Z",
"structure_string": "Ba2 La2 Mn2 Ru2 O12\n1.0\n5.777297 0.000000 0.000000\n0.000000 5.781976 0.000000\n0.000000 5.691950 8.111419\nBa La Mn Ru O\n2 2 2 2 12\ndirect\n0.748539 0.250559 0.249102 Ba\n0.251461 0.250559 0.749102 Ba\n0.239200 0.732705 0.249140 La\n0.760800 0.732705 0.749140 La\n0.252575 0.998433 0.497043 Mn\n0.747425 0.998433 0.997043 Mn\n0.250446 0.501598 0.999019 Ru\n0.749554 0.501598 0.499019 Ru\n0.240391 0.787184 0.759581 O\n0.980590 0.712347 0.541660 O\n0.992043 0.312495 0.962667 O\n0.007957 0.312495 0.462667 O\n0.019410 0.712347 0.041660 O\n0.759609 0.787184 0.259581 O\n0.748992 0.163707 0.739024 O\n0.513924 0.324316 0.959130 O\n0.526200 0.716656 0.543634 O\n0.473800 0.716656 0.043634 O\n0.486076 0.324316 0.459130 O\n0.251008 0.163707 0.239024 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"La",
"Mn",
"Ru",
"O"
],
"chemical_system": "Ba-La-Mn-O-Ru",
"density": 6.474556518156964,
"density_atomic": 0.07381288512256114,
"volume": 270.9554025261497,
"volume_molar": 8.158657868474666,
"formula_full": "Ba2 La2 Mn2 Ru2 O12",
"formula_reduced": "BaLaMnRuO6",
"formula_anonymous": "ABCDE6",
"energy": -160.82909342,
"energy_per_atom": -8.041454671,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.24909342,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9874466,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.534000Z",
"spacegroup": 7
}
]
}