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"structure_string": "Na2 Pr2 Cu2 W2 O12\n1.0\n5.369335 0.000000 0.000000\n0.000000 5.369335 0.000000\n0.000000 0.000000 8.571917\nNa Pr Cu W O\n2 2 2 2 12\ndirect\n0.000000 0.500000 0.250000 Na\n0.500000 0.000000 0.750000 Na\n0.500000 0.000000 0.250000 Pr\n0.000000 0.500000 0.750000 Pr\n0.000000 0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 W\n0.500000 0.500000 -0.000000 W\n0.000000 0.000000 0.271308 O\n0.500000 0.500000 0.228692 O\n0.000000 0.000000 0.728692 O\n0.500000 0.500000 0.771308 O\n0.316072 0.188628 0.006411 O\n0.683928 0.811372 0.006411 O\n0.811372 0.316072 0.993589 O\n0.188628 0.683928 0.993589 O\n0.816072 0.311372 0.506411 O\n0.183928 0.688628 0.506411 O\n0.311372 0.183928 0.493589 O\n0.688628 0.816072 0.493589 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Cu",
"W",
"O"
],
"chemical_system": "Cu-Na-O-Pr-W",
"density": 6.817226434216915,
"density_atomic": 0.08093027878007138,
"volume": 247.1262956396103,
"volume_molar": 7.441146689195538,
"formula_full": "Na2 Pr2 Cu2 W2 O12",
"formula_reduced": "NaPrCuWO6",
"formula_anonymous": "ABCDE6",
"energy": -151.45066467,
"energy_per_atom": -7.572533233500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.33066467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.216000Z",
"spacegroup": 118
},
{
"id": "mp-1519324",
"created_at": "2022-09-04T14:42:15.122102Z",
"structure_string": "Sr1 Eu1 Ti1 Nb1 O6\n1.0\n-0.000000 -4.018656 -4.018656\n4.018656 0.000000 -4.018656\n4.018656 -4.018656 -0.000000\nSr Eu Ti Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Ti\n-0.000000 -0.000000 -0.000000 Nb\n0.747404 0.252596 0.252596 O\n0.252596 0.747404 0.747404 O\n0.747404 0.252596 0.747404 O\n0.252596 0.747404 0.252596 O\n0.747404 0.747404 0.252596 O\n0.252596 0.252596 0.747404 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Eu",
"Ti",
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"O"
],
"chemical_system": "Eu-Nb-O-Sr-Ti",
"density": 6.094052931432553,
"density_atomic": 0.07704199295880455,
"volume": 129.7993420983689,
"volume_molar": 7.816699086717713,
"formula_full": "Sr1 Eu1 Ti1 Nb1 O6",
"formula_reduced": "SrEuTiNbO6",
"formula_anonymous": "ABCDE6",
"energy": -93.27353582,
"energy_per_atom": -9.327353582,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -89.15153582,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.618322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.662000Z",
"spacegroup": 216
}
]
}