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{
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{
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{
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"structure_string": "Li6 Eu3 Si3 O12\n1.0\n2.525391 -4.374105 0.000000\n2.525391 4.374105 0.000000\n0.000000 0.000000 12.488359\nLi Eu Si O\n6 3 3 12\ndirect\n0.406936 0.073042 0.079242 Li\n0.926958 0.333893 0.412576 Li\n0.666107 0.593064 0.745909 Li\n0.333893 0.926958 0.587424 Li\n0.593064 0.666107 0.254091 Li\n0.073042 0.406936 0.920758 Li\n0.000000 0.421162 0.166667 Eu\n0.421162 0.000000 0.833333 Eu\n0.578838 0.578838 0.500000 Eu\n0.722814 0.722814 0.000000 Si\n0.000000 0.277186 0.666667 Si\n0.277186 0.000000 0.333333 Si\n0.239439 0.308142 0.329270 O\n0.068703 0.760561 0.995937 O\n0.549465 0.513553 0.106815 O\n0.691858 0.931297 0.662604 O\n0.308142 0.239439 0.670730 O\n0.931297 0.691858 0.337396 O\n0.035912 0.486447 0.559852 O\n0.486447 0.035912 0.440148 O\n0.964088 0.450535 0.773481 O\n0.513553 0.549465 0.893185 O\n0.450535 0.964088 0.226519 O\n0.760561 0.068703 0.004063 O\n",
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"id": "mp-1047521",
"created_at": "2022-09-04T14:39:19.400223Z",
"structure_string": "Bi6 As8 O32\n1.0\n5.600176 0.000000 0.000000\n0.000000 9.108317 0.000000\n0.000000 5.160401 15.758558\nBi As O\n6 8 32\ndirect\n0.463244 0.183826 0.623785 Bi\n0.536756 0.816174 0.376215 Bi\n0.963244 0.816174 0.876215 Bi\n0.036756 0.183826 0.123785 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.027219 0.048968 0.358273 As\n0.452042 0.433602 0.389994 As\n0.952042 0.566398 0.110006 As\n0.047958 0.433602 0.889994 As\n0.972781 0.951032 0.641727 As\n0.547958 0.566398 0.610006 As\n0.472781 0.048968 0.858273 As\n0.527219 0.951032 0.141727 As\n0.474022 0.831201 0.244589 O\n0.824210 0.685464 0.012837 O\n0.367094 0.374786 0.309307 O\n0.424825 0.136602 0.138255 O\n0.632906 0.625214 0.690693 O\n0.025978 0.831201 0.744589 O\n0.867094 0.625214 0.190693 O\n0.754100 0.482255 0.895825 O\n0.621924 0.122178 0.923925 O\n0.525978 0.168799 0.755411 O\n0.075175 0.136602 0.638255 O\n0.245900 0.517745 0.104175 O\n0.297989 0.605258 0.395879 O\n0.378076 0.877822 0.076075 O\n0.665920 0.980642 0.621908 O\n0.165920 0.019358 0.878092 O\n0.797989 0.394742 0.104121 O\n0.132906 0.374786 0.809307 O\n0.121924 0.877822 0.576075 O\n0.254100 0.517745 0.604175 O\n0.834080 0.980642 0.121908 O\n0.334080 0.019358 0.378092 O\n0.175790 0.314536 0.987163 O\n0.324210 0.314536 0.487163 O\n0.702011 0.394742 0.604121 O\n0.974022 0.168799 0.255411 O\n0.575175 0.863398 0.861745 O\n0.878076 0.122178 0.423925 O\n0.675790 0.685464 0.512837 O\n0.745900 0.482255 0.395825 O\n0.202011 0.605258 0.895879 O\n0.924825 0.863398 0.361745 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Bi",
"As",
"O"
],
"chemical_system": "As-Bi-O",
"density": 4.886155570272294,
"density_atomic": 0.05722707437912749,
"volume": 803.8153356443055,
"volume_molar": 10.52323716586229,
"formula_full": "Bi6 As8 O32",
"formula_reduced": "Bi3(AsO4)4",
"formula_anonymous": "A3B4C16",
"energy": -283.4709049,
"energy_per_atom": -6.1624109760869565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -261.4869049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9819019,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.600000Z",
"spacegroup": 14
}
]
}