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"structure_string": "Ba2 Sr2 In2 W2 O12\n1.0\n5.872549 -0.003305 0.000648\n-0.003338 5.868184 0.006348\n0.000886 0.008781 8.381548\nBa Sr In W O\n2 2 2 2 12\ndirect\n0.501225 0.505110 0.249865 Ba\n0.498775 0.494890 0.750135 Ba\n0.003079 0.006997 0.250112 Sr\n0.996921 0.993003 0.749888 Sr\n0.000000 0.500000 -0.000000 In\n0.500000 -0.000000 0.500000 In\n0.500000 -0.000000 -0.000000 W\n0.000000 0.500000 0.500000 W\n0.242025 0.218562 0.984142 O\n0.246686 0.730123 0.516643 O\n0.757975 0.781438 0.015858 O\n0.753314 0.269877 0.483357 O\n0.268780 0.750338 0.980240 O\n0.220334 0.239068 0.519166 O\n0.731220 0.249662 0.019760 O\n0.779666 0.760932 0.480834 O\n0.458512 0.001576 0.242861 O\n0.029190 0.497123 0.256925 O\n0.541488 0.998424 0.757139 O\n0.970810 0.502877 0.743075 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"In",
"W",
"O"
],
"chemical_system": "Ba-In-O-Sr-W",
"density": 7.1242231004399965,
"density_atomic": 0.06924302354920382,
"volume": 288.8377626344996,
"volume_molar": 8.697108316942126,
"formula_full": "Ba2 Sr2 In2 W2 O12",
"formula_reduced": "BaSrInWO6",
"formula_anonymous": "ABCDE6",
"energy": -150.37334164,
"energy_per_atom": -7.518667082,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.25334164,
"band_gap": 2.0993000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.024000Z",
"spacegroup": 2
},
{
"id": "mp-1518829",
"created_at": "2022-09-04T14:42:06.049309Z",
"structure_string": "Ba2 Sr2 Eu2 W2 O12\n1.0\n6.000517 0.000000 -0.000000\n0.000000 6.000517 0.000000\n-0.000000 0.000000 8.752332\nBa Sr Eu W O\n2 2 2 2 12\ndirect\n0.000000 0.500000 0.250000 Ba\n0.500000 -0.000000 0.750000 Ba\n0.500000 -0.000000 0.250000 Sr\n-0.000000 0.500000 0.750000 Sr\n0.000000 0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n-0.000000 -0.000000 0.500000 W\n0.500000 0.500000 -0.000000 W\n-0.000000 0.000000 0.272411 O\n0.500000 0.500000 0.227589 O\n0.000000 0.000000 0.727589 O\n0.500000 0.500000 0.772411 O\n0.337674 0.214195 0.011798 O\n0.662326 0.785805 0.011798 O\n0.785805 0.337674 0.988202 O\n0.214195 0.662326 0.988202 O\n0.837674 0.285805 0.511798 O\n0.162326 0.714195 0.511798 O\n0.285805 0.162326 0.488202 O\n0.714195 0.837674 0.488202 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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],
"chemical_system": "Ba-Eu-O-Sr-W",
"density": 6.921119232039753,
"density_atomic": 0.06346420898885964,
"volume": 315.1382538071301,
"volume_molar": 9.489034616435717,
"formula_full": "Ba2 Sr2 Eu2 W2 O12",
"formula_reduced": "BaSrEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -172.20182565000002,
"energy_per_atom": -8.6100912825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.08182565,
"band_gap": 0.0489000000000006,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.9999929,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.969000Z",
"spacegroup": 118
}
]
}