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{
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{
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{
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"formula_full": "K1 Sr1 Ce1 Nb1 O6",
"formula_reduced": "KSrCeNbO6",
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"energy_uncorrected": -76.42288075,
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"spacegroup": 216
},
{
"id": "mp-1517820",
"created_at": "2022-09-04T14:42:27.939823Z",
"structure_string": "Sr1 Nd1 Hf1 Fe1 O6\n1.0\n-0.000000 -4.033172 -4.033172\n4.033172 0.000000 -4.033172\n4.033172 -4.033172 -0.000000\nSr Nd Hf Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Hf\n-0.000000 0.000000 0.000000 Fe\n0.753021 0.246979 0.246979 O\n0.246979 0.753021 0.753021 O\n0.753021 0.246979 0.753021 O\n0.246979 0.753021 0.246979 O\n0.753021 0.753021 0.246979 O\n0.246979 0.246979 0.753021 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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],
"chemical_system": "Fe-Hf-Nd-O-Sr",
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"density_atomic": 0.0762131257665338,
"volume": 131.21099416173183,
"volume_molar": 7.901710761014874,
"formula_full": "Sr1 Nd1 Hf1 Fe1 O6",
"formula_reduced": "SrNdHfFeO6",
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"updated_at": "2021-11-28T01:35:47.508000Z",
"spacegroup": 216
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{
"id": "mp-1520532",
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"structure_string": "Sr1 Ca1 Dy1 Bi1 O6\n1.0\n-3.400198 -0.000000 4.860274\n1.724819 -3.013308 4.878765\n1.724819 3.013308 4.878765\nSr Ca Dy Bi O\n1 1 1 1 6\ndirect\n0.730910 0.749067 0.749067 Sr\n0.283416 0.250138 0.250138 Ca\n0.500556 0.500250 0.500250 Dy\n0.000208 0.000247 0.000247 Bi\n0.136433 0.757881 0.757881 O\n0.889591 0.240116 0.240116 O\n0.298524 0.678315 0.189181 O\n0.680920 0.304471 0.830335 O\n0.680920 0.830335 0.304471 O\n0.298524 0.189181 0.678315 O\n",
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"elements": [
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],
"chemical_system": "Bi-Ca-Dy-O-Sr",
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"volume": 150.49581063930927,
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"formula_full": "Sr1 Ca1 Dy1 Bi1 O6",
"formula_reduced": "SrCaDyBiO6",
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"updated_at": "2021-11-28T01:35:48.481000Z",
"spacegroup": 8
}
]
}