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"structure_string": "Mg30 Mn1 Cr1 O32\n1.0\n8.562038 0.000000 0.000000\n0.000000 8.562038 0.000000\n0.000000 0.000000 8.514395\nMg Mn Cr O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.252423 0.000000 0.251202 Mg\n0.252423 0.000000 0.748798 Mg\n0.747577 0.000000 0.251202 Mg\n0.747577 0.000000 0.748798 Mg\n0.250203 0.500000 0.250192 Mg\n0.250203 0.500000 0.749808 Mg\n0.749797 0.500000 0.250192 Mg\n0.749797 0.500000 0.749808 Mg\n0.000000 0.252423 0.251202 Mg\n0.000000 0.252423 0.748798 Mg\n0.500000 0.250203 0.250192 Mg\n0.500000 0.250203 0.749808 Mg\n0.000000 0.747577 0.251202 Mg\n0.000000 0.747577 0.748798 Mg\n0.500000 0.749797 0.250192 Mg\n0.500000 0.749797 0.749808 Mg\n0.250892 0.250892 0.000000 Mg\n0.250516 0.250516 0.500000 Mg\n0.749108 0.250892 0.000000 Mg\n0.749484 0.250516 0.500000 Mg\n0.250892 0.749108 0.000000 Mg\n0.250516 0.749484 0.500000 Mg\n0.749108 0.749108 0.000000 Mg\n0.749484 0.749484 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Cr\n0.000000 0.255097 0.000000 O\n0.000000 0.259892 0.500000 O\n0.500000 0.250739 0.000000 O\n0.500000 0.251403 0.500000 O\n0.000000 0.744903 0.000000 O\n0.000000 0.740108 0.500000 O\n0.500000 0.749261 0.000000 O\n0.500000 0.748597 0.500000 O\n0.249462 0.249462 0.249779 O\n0.249462 0.249462 0.750221 O\n0.750538 0.249462 0.249779 O\n0.750538 0.249462 0.750221 O\n0.249462 0.750538 0.249779 O\n0.249462 0.750538 0.750221 O\n0.750538 0.750538 0.249779 O\n0.750538 0.750538 0.750221 O\n0.000000 0.000000 0.256640 O\n0.000000 0.000000 0.743360 O\n0.500000 0.000000 0.248937 O\n0.500000 0.000000 0.751063 O\n0.000000 0.500000 0.248937 O\n0.000000 0.500000 0.751063 O\n0.500000 0.500000 0.249614 O\n0.500000 0.500000 0.750386 O\n0.255097 0.000000 0.000000 O\n0.259892 0.000000 0.500000 O\n0.744903 0.000000 0.000000 O\n0.740108 0.000000 0.500000 O\n0.250739 0.500000 0.000000 O\n0.251403 0.500000 0.500000 O\n0.749261 0.500000 0.000000 O\n0.748597 0.500000 0.500000 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "Cr-Mg-Mn-O",
"density": 3.5863429460056824,
"density_atomic": 0.10253493912226515,
"volume": 624.1774808456739,
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"formula_full": "Mg30 Mn1 Cr1 O32",
"formula_reduced": "Mg30MnCrO32",
"formula_anonymous": "ABC30D32",
"energy": -414.20238477,
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"energy_uncorrected": -388.55138477,
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"updated_at": "2021-11-28T01:36:28.342000Z",
"spacegroup": 123
},
{
"id": "mp-1036862",
"created_at": "2022-09-04T14:44:17.092621Z",
"structure_string": "Mg30 Ni1 Bi1 O32\n1.0\n8.625759 0.000000 0.000000\n0.000000 8.625759 0.000000\n0.000000 0.000000 8.597087\nMg Ni Bi O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255193 0.000000 0.239169 Mg\n0.255193 0.000000 0.760831 Mg\n0.744807 0.000000 0.239169 Mg\n0.744807 0.000000 0.760831 Mg\n0.250356 0.500000 0.247800 Mg\n0.250356 0.500000 0.752200 Mg\n0.749644 0.500000 0.247800 Mg\n0.749644 0.500000 0.752200 Mg\n0.000000 0.255193 0.239169 Mg\n0.000000 0.255193 0.760831 Mg\n0.500000 0.250356 0.247800 Mg\n0.500000 0.250356 0.752200 Mg\n0.000000 0.744807 0.239169 Mg\n0.000000 0.744807 0.760831 Mg\n0.500000 0.749644 0.247800 Mg\n0.500000 0.749644 0.752200 Mg\n0.248244 0.248244 0.000000 Mg\n0.256948 0.256948 0.500000 Mg\n0.751756 0.248244 0.000000 Mg\n0.743052 0.256948 0.500000 Mg\n0.248244 0.751756 0.000000 Mg\n0.256948 0.743052 0.500000 Mg\n0.751756 0.751756 0.000000 Mg\n0.743052 0.743052 0.500000 Mg\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Bi\n0.000000 0.267372 0.000000 O\n0.000000 0.266731 0.500000 O\n0.500000 0.252858 0.000000 O\n0.500000 0.252885 0.500000 O\n0.000000 0.732628 0.000000 O\n0.000000 0.733269 0.500000 O\n0.500000 0.747142 0.000000 O\n0.500000 0.747115 0.500000 O\n0.249061 0.249061 0.251026 O\n0.249061 0.249061 0.748974 O\n0.750939 0.249061 0.251026 O\n0.750939 0.249061 0.748974 O\n0.249061 0.750939 0.251026 O\n0.249061 0.750939 0.748974 O\n0.750939 0.750939 0.251026 O\n0.750939 0.750939 0.748974 O\n0.000000 0.000000 0.236693 O\n0.000000 0.000000 0.763307 O\n0.500000 0.000000 0.250668 O\n0.500000 0.000000 0.749332 O\n0.000000 0.500000 0.250668 O\n0.000000 0.500000 0.749332 O\n0.500000 0.500000 0.250561 O\n0.500000 0.500000 0.749439 O\n0.267372 0.000000 0.000000 O\n0.266731 0.000000 0.500000 O\n0.732628 0.000000 0.000000 O\n0.733269 0.000000 0.500000 O\n0.252858 0.500000 0.000000 O\n0.252885 0.500000 0.500000 O\n0.747142 0.500000 0.000000 O\n0.747115 0.500000 0.500000 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "Bi-Mg-Ni-O",
"density": 3.916842741472752,
"density_atomic": 0.10005389785088253,
"volume": 639.6552395728128,
"volume_molar": 6.018896704029689,
"formula_full": "Mg30 Ni1 Bi1 O32",
"formula_reduced": "Mg30NiBiO32",
"formula_anonymous": "ABC30D32",
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"updated_at": "2021-11-28T01:36:31.426000Z",
"spacegroup": 123
}
]
}