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{
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{
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"created_at": "2022-09-04T14:47:01.241504Z",
"structure_string": "Mn4 Ni2 O8\n1.0\n5.214759 0.000000 3.010742\n1.738253 4.916522 3.010742\n0.000000 0.000000 6.021485\nMn Ni O\n4 2 8\ndirect\n0.500000 0.000000 0.499999 Mn\n0.999999 0.500000 0.500000 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500000 0.500001 Mn\n0.125000 0.124999 0.125000 Ni\n0.875000 0.874999 0.875000 Ni\n0.744341 0.744340 0.744342 O\n0.255660 0.255658 0.733023 O\n0.255659 0.733022 0.255659 O\n0.733024 0.255658 0.255658 O\n0.744341 0.266978 0.744340 O\n0.266977 0.744340 0.744341 O\n0.255660 0.255658 0.255659 O\n0.744341 0.744340 0.266977 O\n",
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"elements": [
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],
"chemical_system": "Mn-Ni-O",
"density": 5.003011647141353,
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"volume": 154.38170677501404,
"volume_molar": 6.640774064058431,
"formula_full": "Mn4 Ni2 O8",
"formula_reduced": "Mn2NiO4",
"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:37:54.872000Z",
"spacegroup": 227
},
{
"id": "mp-1261252",
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"structure_string": "Ti4 Al4 O14\n1.0\n0.000000 4.793391 4.793391\n4.793391 0.000000 4.793391\n4.793391 4.793391 0.000000\nTi Al O\n4 4 14\ndirect\n0.625000 0.625000 0.625000 Ti\n0.125000 0.625000 0.625000 Ti\n0.625000 0.625000 0.125000 Ti\n0.625000 0.125000 0.625000 Ti\n0.125000 0.125000 0.125000 Al\n0.625000 0.125000 0.125000 Al\n0.125000 0.125000 0.625000 Al\n0.125000 0.625000 0.125000 Al\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.276562 0.276562 0.723438 O\n0.526562 0.526562 0.973438 O\n0.723438 0.276562 0.723438 O\n0.723438 0.276562 0.276562 O\n0.276562 0.723438 0.723438 O\n0.276562 0.723438 0.276562 O\n0.723438 0.723438 0.276562 O\n0.973438 0.526562 0.526562 O\n0.526562 0.973438 0.973438 O\n0.973438 0.973438 0.526562 O\n0.973438 0.526562 0.973438 O\n0.526562 0.973438 0.526562 O\n",
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"formula_full": "Ti4 Al4 O14",
"formula_reduced": "Ti2Al2O7",
"formula_anonymous": "A2B2C7",
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"updated_at": "2021-11-28T01:37:48.653000Z",
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}
]
}