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{
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"Ni",
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],
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"formula_full": "Co1 Ni4 O8",
"formula_reduced": "Co(NiO2)4",
"formula_anonymous": "AB4C8",
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"updated_at": "2021-11-28T01:35:36.281000Z",
"spacegroup": 12
},
{
"id": "mp-756595",
"created_at": "2022-09-04T14:46:21.287619Z",
"structure_string": "Li4 Mn5 Sn1 O12\n1.0\n4.485352 2.689836 0.000000\n-4.485352 2.689836 0.000000\n0.000000 0.164352 10.308420\nLi Mn Sn O\n4 5 1 12\ndirect\n0.628700 0.138269 0.747721 Li\n0.861731 0.371300 0.252279 Li\n0.138269 0.628700 0.747721 Li\n0.371300 0.861731 0.252279 Li\n0.836236 0.163764 0.500000 Mn\n0.336423 0.663577 0.000000 Mn\n0.663577 0.336423 0.000000 Mn\n0.163764 0.836236 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n0.686250 0.045106 0.113126 O\n0.954894 0.313750 0.886874 O\n0.532813 0.170960 0.394097 O\n0.170960 0.532813 0.394097 O\n0.829040 0.467187 0.605903 O\n0.174318 0.174318 0.587237 O\n0.467187 0.829040 0.605903 O\n0.045106 0.686250 0.113126 O\n0.340071 0.340071 0.095684 O\n0.313750 0.954894 0.886874 O\n0.659929 0.659929 0.904316 O\n0.825682 0.825682 0.412763 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Sn",
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],
"chemical_system": "Li-Mn-O-Sn",
"density": 4.093326361727429,
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"volume": 248.73931467879666,
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"formula_full": "Li4 Mn5 Sn1 O12",
"formula_reduced": "Li4Mn5SnO12",
"formula_anonymous": "AB4C5D12",
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},
{
"id": "mp-756596",
"created_at": "2022-09-04T14:40:17.498450Z",
"structure_string": "Li2 Mn3 Cu1 O8\n1.0\n5.180557 -2.935817 0.000000\n5.180557 2.935817 0.000000\n3.516833 0.000000 4.805110\nLi Mn Cu O\n2 3 1 8\ndirect\n0.119804 0.119804 0.119804 Li\n0.880196 0.880196 0.880196 Li\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Cu\n0.263076 0.263076 0.263076 O\n0.708120 0.253583 0.253583 O\n0.253583 0.253583 0.708120 O\n0.253583 0.708120 0.253583 O\n0.746417 0.291880 0.746417 O\n0.746417 0.746417 0.291880 O\n0.291880 0.746417 0.746417 O\n0.736924 0.736924 0.736924 O\n",
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"elements": [
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"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.206206028113295,
"density_atomic": 0.09578318374039013,
"volume": 146.16344386657133,
"volume_molar": 6.287263092363222,
"formula_full": "Li2 Mn3 Cu1 O8",
"formula_reduced": "Li2Mn3CuO8",
"formula_anonymous": "AB2C3D8",
"energy": -100.93134935,
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"energy_uncorrected": -90.43134935,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:51.525000Z",
"spacegroup": 166
}
]
}