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{
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{
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"structure_string": "Ho6 Ge6 Ir4\n1.0\n2.155247 -5.225735 0.000000\n2.155247 5.225735 0.000000\n0.000000 0.000000 14.290184\nHo Ge Ir\n6 6 4\ndirect\n0.915633 0.084367 0.110247 Ho\n0.084367 0.915633 0.889753 Ho\n0.084367 0.915633 0.610247 Ho\n0.915633 0.084367 0.389753 Ho\n0.642142 0.357858 0.250000 Ho\n0.357858 0.642142 0.750000 Ho\n0.344430 0.655570 0.250000 Ge\n0.655570 0.344430 0.750000 Ge\n0.376901 0.623099 0.535098 Ge\n0.623099 0.376901 0.464902 Ge\n0.623099 0.376901 0.035098 Ge\n0.376901 0.623099 0.964902 Ge\n0.799549 0.200451 0.602668 Ir\n0.200451 0.799549 0.397332 Ir\n0.200451 0.799549 0.102668 Ir\n0.799549 0.200451 0.897332 Ir\n",
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{
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{
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{
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"structure_string": "Cu6 B8 Pb4 O22\n1.0\n4.783613 0.000000 0.000000\n0.000000 6.874752 0.000000\n0.000000 5.156530 14.804780\nCu B Pb O\n6 8 4 22\ndirect\n0.478522 0.211186 0.941535 Cu\n0.521478 0.788814 0.058465 Cu\n0.478522 0.788814 0.558465 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.521478 0.211186 0.441535 Cu\n0.054593 0.035880 0.096674 B\n0.011430 0.361013 0.339221 B\n0.054593 0.964120 0.403326 B\n0.988570 0.361013 0.839221 B\n0.988570 0.638987 0.660779 B\n0.011430 0.638987 0.160779 B\n0.945407 0.964120 0.903326 B\n0.945407 0.035880 0.596674 B\n0.578896 0.291581 0.191976 Pb\n0.578896 0.708419 0.308024 Pb\n0.421104 0.291581 0.691976 Pb\n0.421104 0.708419 0.808024 Pb\n0.698944 0.599094 0.650813 O\n0.067356 0.221335 0.589756 O\n0.174871 0.589240 0.592324 O\n0.825129 0.410760 0.407676 O\n0.290398 0.026614 0.047722 O\n0.051774 0.145788 0.841184 O\n0.067356 0.778665 0.910244 O\n0.290398 0.973386 0.452278 O\n0.709602 0.026614 0.547722 O\n0.110047 0.500000 0.750000 O\n0.709602 0.973386 0.952278 O\n0.948226 0.854212 0.158816 O\n0.825129 0.589240 0.092324 O\n0.932644 0.221335 0.089756 O\n0.301056 0.599094 0.150813 O\n0.051774 0.854212 0.658816 O\n0.932644 0.778665 0.410244 O\n0.948226 0.145788 0.341184 O\n0.889953 0.500000 0.250000 O\n0.174871 0.410760 0.907676 O\n0.698944 0.400906 0.849187 O\n0.301056 0.400906 0.349187 O\n",
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},
{
"id": "mp-1174928",
"created_at": "2022-09-04T14:43:44.407127Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.074732 0.000000 0.000000\n-0.083592 5.928019 0.000000\n-2.300999 -1.619280 7.115978\nLi Mn Co O\n7 2 3 12\ndirect\n0.502975 0.262666 0.001648 Li\n0.503453 0.421318 0.669593 Li\n0.506336 0.736514 0.004170 Li\n0.502527 0.910854 0.664647 Li\n0.495270 0.082100 0.330230 Li\n0.486231 0.589212 0.329561 Li\n0.001238 0.502903 0.000605 Li\n0.995324 0.001747 0.000854 Mn\n0.004486 0.165255 0.669649 Mn\n0.998415 0.340079 0.326355 Co\n0.008493 0.657295 0.669607 Co\n0.994553 0.832746 0.329473 Co\n0.753422 0.052254 0.149349 O\n0.780410 0.191830 0.833073 O\n0.770495 0.561247 0.190915 O\n0.779717 0.724883 0.832889 O\n0.782139 0.881613 0.505208 O\n0.778179 0.354789 0.511251 O\n0.235122 0.438851 0.817719 O\n0.242810 0.618519 0.509750 O\n0.225838 0.972043 0.831407 O\n0.214864 0.109553 0.492178 O\n0.223120 0.278327 0.167157 O\n0.214581 0.813401 0.162712 O\n",
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
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"density_atomic": 0.11211247656211219,
"volume": 214.0707326780316,
"volume_molar": 5.371517019930991,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
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{
"id": "mp-570904",
"created_at": "2022-09-04T14:43:44.458692Z",
"structure_string": "Ga2 Ni4\n1.0\n2.023114 -3.504135 0.000000\n2.023114 3.504135 0.000000\n0.000000 0.000000 5.024221\nGa Ni\n2 4\ndirect\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n0.000000 0.000000 0.000000 Ni\n0.666667 0.333333 0.250000 Ni\n0.333333 0.666667 0.750000 Ni\n0.000000 0.000000 0.500000 Ni\n",
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"elements": [
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],
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"density": 8.723197648852176,
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"updated_at": "2021-11-28T01:36:12.295000Z",
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},
{
"id": "mp-771091",
"created_at": "2022-09-04T14:43:44.520200Z",
"structure_string": "Li8 Cr8 O28\n1.0\n6.614059 0.000000 0.000000\n0.000000 6.614059 0.000000\n0.000000 0.000000 12.455464\nLi Cr O\n8 8 28\ndirect\n0.113121 0.647371 0.131770 Li\n0.147371 0.386879 0.881770 Li\n0.352629 0.886879 0.368230 Li\n0.386879 0.147371 0.118230 Li\n0.613121 0.852629 0.618230 Li\n0.647371 0.113121 0.868230 Li\n0.852629 0.613121 0.381770 Li\n0.886879 0.352629 0.631770 Li\n0.093666 0.838383 0.619290 Cr\n0.161617 0.906334 0.880710 Cr\n0.338383 0.406334 0.369290 Cr\n0.406334 0.338383 0.630710 Cr\n0.593666 0.661617 0.130710 Cr\n0.661617 0.593666 0.869290 Cr\n0.838383 0.093666 0.380710 Cr\n0.906334 0.161617 0.119290 Cr\n0.039838 0.950888 0.376131 O\n0.048760 0.349924 0.076335 O\n0.049112 0.960162 0.123869 O\n0.132449 0.708304 0.958256 O\n0.150076 0.548760 0.326335 O\n0.208304 0.367551 0.708256 O\n0.192974 0.807026 0.750000 O\n0.307026 0.307026 0.500000 O\n0.291696 0.867551 0.541744 O\n0.349924 0.048760 0.923665 O\n0.367551 0.208304 0.291744 O\n0.450888 0.460162 0.126131 O\n0.451240 0.849924 0.173665 O\n0.460162 0.450888 0.873869 O\n0.539838 0.549112 0.373869 O\n0.548760 0.150076 0.673665 O\n0.549112 0.539838 0.626131 O\n0.632449 0.791696 0.791744 O\n0.650076 0.951240 0.423665 O\n0.708304 0.132449 0.041744 O\n0.692974 0.692974 0.000000 O\n0.807026 0.192974 0.250000 O\n0.791696 0.632449 0.208256 O\n0.849924 0.451240 0.826335 O\n0.867551 0.291696 0.458256 O\n0.950888 0.039838 0.623869 O\n0.951240 0.650076 0.576335 O\n0.960162 0.049112 0.876131 O\n",
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],
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"density": 2.802175582719005,
"density_atomic": 0.08075262269596119,
"volume": 544.8739437932911,
"volume_molar": 7.457517240862563,
"formula_full": "Li8 Cr8 O28",
"formula_reduced": "Li2Cr2O7",
"formula_anonymous": "A2B2C7",
"energy": -311.67797485,
"energy_per_atom": -7.0835903375,
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"updated_at": "2021-11-28T01:36:17.363000Z",
"spacegroup": 92
}
]
}