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"structure_string": "K1 Tb1 Eu1 W1 O6\n1.0\n0.000000 -4.205216 -4.205216\n4.205216 0.000000 -4.205216\n4.205216 -4.205216 -0.000000\nK Tb Eu W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n-0.000000 0.000000 -0.000000 Tb\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 W\n0.732475 0.267525 0.267525 O\n0.267525 0.732475 0.732475 O\n0.732475 0.267525 0.732475 O\n0.267525 0.732475 0.267525 O\n0.732475 0.732475 0.267525 O\n0.267525 0.267525 0.732475 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Tb",
"Eu",
"W",
"O"
],
"chemical_system": "Eu-K-O-Tb-W",
"density": 7.031911845379791,
"density_atomic": 0.06723649717635065,
"volume": 148.72874733155103,
"volume_molar": 8.956654514890747,
"formula_full": "K1 Tb1 Eu1 W1 O6",
"formula_reduced": "KTbEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -87.77695445999998,
"energy_per_atom": -8.777695446,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.21695446,
"band_gap": 0.4137000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0105412,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.077000Z",
"spacegroup": 216
},
{
"id": "mp-1043991",
"created_at": "2022-09-04T14:40:09.576245Z",
"structure_string": "La2 Mg2 Ta2 Fe2 O12\n1.0\n-0.000129 5.454329 -0.013552\n0.001872 -0.019602 8.032772\n5.618781 -0.000227 0.001288\nLa Mg Ta Fe O\n2 2 2 2 12\ndirect\n0.992172 0.249856 0.048941 La\n0.492056 0.749772 0.451329 La\n0.525924 0.256952 0.553772 Mg\n0.025825 0.757136 0.946453 Mg\n0.002659 0.498091 0.509707 Ta\n0.502791 0.998140 0.990264 Ta\n0.499005 0.499114 0.004387 Fe\n0.998821 0.998916 0.495525 Fe\n0.647293 0.769331 0.035182 O\n0.146751 0.269165 0.465187 O\n0.194604 0.938625 0.183640 O\n0.694331 0.438818 0.316282 O\n0.164216 0.570877 0.203461 O\n0.664397 0.070976 0.296356 O\n0.902051 0.734346 0.566619 O\n0.401694 0.234172 0.932938 O\n0.281851 0.557242 0.716314 O\n0.782030 0.057700 0.783732 O\n0.290952 0.925292 0.724810 O\n0.790573 0.425484 0.775100 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Ta",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mg-O-Ta",
"density": 6.691359007708056,
"density_atomic": 0.08124259303364038,
"volume": 246.17628823982187,
"volume_molar": 7.4125412977727,
"formula_full": "La2 Mg2 Ta2 Fe2 O12",
"formula_reduced": "LaMgTaFeO6",
"formula_anonymous": "ABCDE6",
"energy": -174.17942212,
"energy_per_atom": -8.708971106,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.42342212,
"band_gap": 2.8630000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.436000Z",
"spacegroup": 7
}
]
}