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{
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{
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"structure_string": "Mg4 Bi6 O16\n1.0\n3.449887 -5.975379 -0.000000\n3.449887 5.975379 0.000000\n0.000000 0.000000 8.929896\nMg Bi O\n4 6 16\ndirect\n0.666667 0.333333 0.974511 Mg\n0.333333 0.666667 0.474511 Mg\n0.666667 0.333333 0.648401 Mg\n0.333333 0.666667 0.148400 Mg\n0.167416 0.334832 0.764424 Bi\n0.832585 0.167416 0.264424 Bi\n0.334832 0.167416 0.264424 Bi\n0.832585 0.665169 0.264424 Bi\n0.665169 0.832585 0.764424 Bi\n0.167416 0.832585 0.764424 Bi\n0.473205 0.526795 0.617562 O\n0.946411 0.473206 0.117562 O\n0.333333 0.666667 0.908789 O\n0.000000 0.000000 0.136257 O\n0.000000 0.000000 0.636257 O\n0.526795 0.473205 0.117562 O\n0.053590 0.526795 0.617562 O\n0.197861 0.802139 0.330861 O\n0.197861 0.395722 0.330861 O\n0.395722 0.197861 0.830861 O\n0.802139 0.197861 0.830861 O\n0.473206 0.946411 0.617562 O\n0.604279 0.802140 0.330861 O\n0.802140 0.604279 0.830861 O\n0.526795 0.053590 0.117562 O\n0.666667 0.333333 0.408789 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
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"Bi",
"O"
],
"chemical_system": "Bi-Mg-O",
"density": 7.248419659439056,
"density_atomic": 0.07061982299878582,
"volume": 368.16858066108466,
"volume_molar": 8.527550062117177,
"formula_full": "Mg4 Bi6 O16",
"formula_reduced": "Mg2Bi3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.7969206923076926,
"spacegroup": 186
},
{
"id": "jvasp-58607",
"created_at": "2022-09-04T14:37:29.273271Z",
"updated_at": "2022-09-04T14:37:29.273290Z",
"structure_string": "Ca4 Sb6 O16\n1.0\n3.380397 -5.855020 0.000000\n3.380397 5.855020 0.000000\n-0.000000 -0.000000 10.107624\nCa Sb O\n4 6 16\ndirect\n0.666667 0.333333 0.968631 Ca\n0.333333 0.666667 0.468631 Ca\n0.666667 0.333333 0.607122 Ca\n0.333333 0.666667 0.107122 Ca\n0.165160 0.330320 0.755715 Sb\n0.834841 0.165160 0.255715 Sb\n0.330320 0.165160 0.255715 Sb\n0.834841 0.669681 0.255715 Sb\n0.669681 0.834841 0.755715 Sb\n0.165160 0.834841 0.755715 Sb\n0.474896 0.525105 0.637298 O\n0.949792 0.474896 0.137298 O\n0.333333 0.666667 0.872322 O\n0.000000 0.000000 0.153135 O\n0.000000 0.000000 0.653135 O\n0.525105 0.474896 0.137298 O\n0.050209 0.525105 0.637298 O\n0.164641 0.835360 0.342083 O\n0.164640 0.329281 0.342083 O\n0.329281 0.164640 0.842083 O\n0.835360 0.164641 0.842083 O\n0.474896 0.949792 0.637298 O\n0.670720 0.835360 0.342083 O\n0.835360 0.670720 0.842083 O\n0.525105 0.050209 0.137298 O\n0.666667 0.333333 0.372322 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ca-O-Sb",
"density": 4.7597621147071285,
"density_atomic": 0.0649827645991767,
"volume": 400.1060921364587,
"volume_molar": 9.267289252997243,
"formula_full": "Ca4 Sb6 O16",
"formula_reduced": "Ca2Sb3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.0506682415384616,
"spacegroup": 186
}
]
}