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{
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{
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"structure_string": "Li2 Co4 O8\n1.0\n2.955274 0.000000 0.000000\n0.000000 4.939286 -0.035342\n1.477637 0.748390 9.809220\nLi Co O\n2 4 8\ndirect\n0.625465 0.548424 0.749071 Li\n0.874535 0.951576 0.250929 Li\n0.488767 0.495316 0.022467 Co\n0.011233 0.004684 0.977533 Co\n0.250000 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Co\n0.052992 0.685552 0.894015 O\n0.554281 0.217562 0.891437 O\n0.447008 0.814448 0.105985 O\n0.945719 0.282438 0.108563 O\n0.302659 0.076010 0.394682 O\n0.799437 0.611182 0.401126 O\n0.197341 0.423990 0.605318 O\n0.700563 0.888818 0.598874 O\n",
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"volume_molar": 6.71213652918455,
"formula_full": "Li4 Mn3 V1 P4 O16",
"formula_reduced": "Li4Mn3V(PO4)4",
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"updated_at": "2021-11-28T01:34:53.996000Z",
"spacegroup": 6
},
{
"id": "mp-1102524",
"created_at": "2022-09-04T14:40:29.568331Z",
"structure_string": "In2 Pd8 Se1\n1.0\n4.075264 0.000000 0.000000\n0.000000 4.075264 0.000000\n0.000000 0.000000 11.149914\nIn Pd Se\n2 8 1\ndirect\n0.500000 0.500000 0.822348 In\n0.500000 0.500000 0.177652 In\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.640583 Pd\n0.000000 0.500000 0.640583 Pd\n0.500000 0.000000 0.359417 Pd\n0.000000 0.500000 0.359417 Pd\n0.000000 0.000000 0.820152 Pd\n0.000000 0.000000 0.179848 Pd\n0.000000 0.000000 0.500000 Se\n",
"nsites": 11,
"nelements": 3,
"elements": [
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"Se"
],
"chemical_system": "In-Pd-Se",
"density": 10.40177844964907,
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"volume": 185.1752815983168,
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"formula_full": "In2 Pd8 Se1",
"formula_reduced": "In2Pd8Se",
"formula_anonymous": "AB2C8",
"energy": -55.42053587,
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"updated_at": "2021-11-28T01:34:54.645000Z",
"spacegroup": 123
},
{
"id": "mp-1218191",
"created_at": "2022-09-04T14:40:29.811044Z",
"structure_string": "Sr2 La2 Co2 O8\n1.0\n2.716719 -6.301951 0.000000\n2.716719 6.301951 0.000000\n0.000000 0.000000 5.450274\nSr La Co O\n2 2 2 8\ndirect\n0.605977 0.394023 0.250000 Sr\n0.394023 0.605977 0.750000 Sr\n0.111873 0.888127 0.750000 La\n0.888127 0.111873 0.250000 La\n0.251021 0.748979 0.250000 Co\n0.748979 0.251021 0.750000 Co\n0.924888 0.075112 0.750000 O\n0.411899 0.588101 0.250000 O\n0.075112 0.924888 0.250000 O\n0.588101 0.411899 0.750000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-La-O-Sr",
"density": 6.218760769263542,
"density_atomic": 0.07501704656160352,
"volume": 186.62424930983238,
"volume_molar": 8.027696418379596,
"formula_full": "Sr2 La2 Co2 O8",
"formula_reduced": "SrLaCoO4",
"formula_anonymous": "ABCD4",
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]
}