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{
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"structure_string": "Ba2 Ca2 Eu2 W2 O12\n1.0\n5.932092 -0.013351 -0.022178\n-0.016602 5.957327 -0.037455\n-0.034978 -0.056140 8.391167\nBa Ca Eu W O\n2 2 2 2 12\ndirect\n0.503760 0.525356 0.250814 Ba\n0.496240 0.474644 0.749186 Ba\n-0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.994026 0.040116 0.252517 Eu\n0.005974 0.959884 0.747483 Eu\n0.500000 0.000000 0.000000 W\n-0.000000 0.500000 0.500000 W\n0.239423 0.193852 0.954827 O\n0.260017 0.699927 0.528632 O\n0.760577 0.806148 0.045173 O\n0.739983 0.300073 0.471368 O\n0.302564 0.740622 0.961651 O\n0.187401 0.232560 0.541122 O\n0.697436 0.259378 0.038349 O\n0.812599 0.767440 0.458878 O\n0.414362 0.998037 0.226789 O\n0.058376 0.465177 0.271003 O\n0.585638 0.001963 0.773211 O\n0.941624 0.534823 0.728997 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Ca",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Ca-Eu-O-W",
"density": 6.823213689787903,
"density_atomic": 0.06744909564107882,
"volume": 296.51991342370667,
"volume_molar": 8.928423283902875,
"formula_full": "Ba2 Ca2 Eu2 W2 O12",
"formula_reduced": "BaCaEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -173.82673486000002,
"energy_per_atom": -8.691336743,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.70673486,
"band_gap": 0.1995000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.194000Z",
"spacegroup": 2
},
{
"id": "mp-1517893",
"created_at": "2022-09-04T14:47:11.681971Z",
"structure_string": "Na1 Sr1 Nb1 Bi1 O6\n1.0\n0.000000 -4.209668 -4.209668\n4.209668 0.000000 -4.209668\n4.209668 -4.209668 0.000000\nNa Sr Nb 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 Nb\n0.000000 0.000000 0.000000 Bi\n0.737594 0.262406 0.262406 O\n0.262406 0.737594 0.737594 O\n0.737594 0.262406 0.737594 O\n0.262406 0.737594 0.262406 O\n0.737594 0.737594 0.262406 O\n0.262406 0.262406 0.737594 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Sr",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Na-Nb-O-Sr",
"density": 5.659271102788121,
"density_atomic": 0.06702340168142937,
"volume": 149.201618376985,
"volume_molar": 8.985131474860065,
"formula_full": "Na1 Sr1 Nb1 Bi1 O6",
"formula_reduced": "NaSrNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.97898463,
"energy_per_atom": -7.097898463,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.85698463,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.481000Z",
"spacegroup": 216
}
]
}