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{
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{
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{
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{
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{
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{
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"structure_string": "Eu4 P20 O56\n1.0\n8.943505 0.000000 0.000000\n0.000000 8.709297 0.000000\n0.000000 0.206738 13.013744\nEu P O\n4 20 56\ndirect\n0.691085 0.778339 0.000968 Eu\n0.308915 0.221661 0.999032 Eu\n0.808915 0.778339 0.500968 Eu\n0.191085 0.221661 0.499032 Eu\n0.744887 0.186022 0.999896 P\n0.551931 0.275333 0.663447 P\n0.448069 0.724667 0.336553 P\n0.496750 0.492544 0.172461 P\n0.948069 0.275333 0.163447 P\n0.494193 0.990988 0.203125 P\n0.547098 0.254094 0.335259 P\n0.755113 0.186022 0.499896 P\n0.051931 0.724667 0.836553 P\n0.996750 0.507456 0.327539 P\n0.452902 0.745906 0.664741 P\n0.255113 0.813978 0.000104 P\n0.047098 0.745906 0.164741 P\n0.244887 0.813978 0.500104 P\n0.003250 0.492544 0.672461 P\n0.005807 0.990988 0.703125 P\n0.994193 0.009012 0.296875 P\n0.952902 0.254094 0.835259 P\n0.505807 0.009012 0.796875 P\n0.503250 0.507456 0.827539 P\n0.572626 0.088190 0.293206 O\n0.101419 0.870576 0.771961 O\n0.383131 0.417037 0.877869 O\n0.693630 0.280237 0.399618 O\n0.806370 0.280237 0.899618 O\n0.883131 0.582963 0.622131 O\n0.081674 0.637359 0.259088 O\n0.616869 0.582963 0.122131 O\n0.415933 0.586834 0.263245 O\n0.618623 0.911283 0.150329 O\n0.601419 0.129424 0.728039 O\n0.381377 0.088717 0.849671 O\n0.584067 0.413166 0.736755 O\n0.812514 0.297010 0.087971 O\n0.097303 0.269307 0.115934 O\n0.625648 0.577310 0.888101 O\n0.398581 0.870576 0.271961 O\n0.072626 0.911810 0.206794 O\n0.125648 0.422690 0.611899 O\n0.187486 0.702990 0.912029 O\n0.919549 0.209427 0.500836 O\n0.183891 0.968617 0.994298 O\n0.116869 0.417037 0.377869 O\n0.306370 0.719763 0.600382 O\n0.193630 0.719763 0.100382 O\n0.316109 0.968617 0.494298 O\n0.620346 0.913866 0.850781 O\n0.374352 0.422690 0.111899 O\n0.405953 0.281416 0.389817 O\n0.902697 0.730693 0.884066 O\n0.905953 0.718584 0.110183 O\n0.080451 0.790573 0.499164 O\n0.881377 0.911283 0.650329 O\n0.402697 0.269307 0.615934 O\n0.581674 0.362641 0.240912 O\n0.094047 0.281416 0.889817 O\n0.427374 0.911810 0.706794 O\n0.898581 0.129424 0.228039 O\n0.594047 0.718584 0.610183 O\n0.379654 0.086134 0.149219 O\n0.687486 0.297010 0.587971 O\n0.915933 0.413166 0.236755 O\n0.120346 0.086134 0.649219 O\n0.312514 0.702990 0.412029 O\n0.683891 0.031383 0.505702 O\n0.927374 0.088190 0.793206 O\n0.118623 0.088717 0.349671 O\n0.580451 0.209427 0.000836 O\n0.084067 0.586834 0.763245 O\n0.419549 0.790573 0.999164 O\n0.879654 0.913866 0.350781 O\n0.816109 0.031383 0.005702 O\n0.874352 0.577310 0.388101 O\n0.597303 0.730693 0.384066 O\n0.418326 0.637359 0.759088 O\n0.918326 0.362641 0.740912 O\n",
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{
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{
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"updated_at": "2021-11-28T01:38:51.212000Z",
"spacegroup": 36
},
{
"id": "mp-1174270",
"created_at": "2022-09-04T14:48:16.916685Z",
"structure_string": "Li8 Mn6 Co2 O16\n1.0\n4.905149 0.043120 -1.375330\n-0.894515 5.167966 -3.028134\n4.274395 5.118230 7.472583\nLi Mn Co O\n8 6 2 16\ndirect\n0.255596 0.000001 0.260149 Li\n0.755656 0.500001 0.760016 Li\n0.244343 0.500001 0.239984 Li\n0.744404 0.000001 0.739851 Li\n0.499998 0.264920 0.000000 Li\n0.000002 0.764770 0.500000 Li\n0.500001 0.735082 0.000000 Li\n0.999997 0.235232 0.500001 Li\n0.000014 0.499983 0.999997 Mn\n0.500004 0.999988 0.499996 Mn\n0.749761 0.749958 0.250202 Mn\n0.250238 0.250042 0.749798 Mn\n0.749769 0.250041 0.250199 Mn\n0.250230 0.749960 0.749802 Mn\n0.500000 0.500001 0.500000 Co\n0.000000 0.000001 0.000000 Co\n0.858222 0.000003 0.386215 O\n0.357928 0.500002 0.886246 O\n0.642071 0.500001 0.113754 O\n0.141776 0.000000 0.613786 O\n0.858282 0.500003 0.356809 O\n0.359856 0.999997 0.856239 O\n0.640143 0.000004 0.143762 O\n0.141718 0.499999 0.643191 O\n0.099941 0.268931 0.118693 O\n0.599404 0.768232 0.618207 O\n0.099933 0.731082 0.118687 O\n0.599407 0.231754 0.618218 O\n0.400592 0.768248 0.381783 O\n0.900066 0.268920 0.881313 O\n0.400594 0.231771 0.381794 O\n0.900057 0.731071 0.881308 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.175370453481129,
"density_atomic": 0.10600995394602712,
"volume": 301.8584463897812,
"volume_molar": 5.6807314179818,
"formula_full": "Li8 Mn6 Co2 O16",
"formula_reduced": "Li4Mn3CoO8",
"formula_anonymous": "AB3C4D8",
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"total_magnetization": 22.002524,
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"updated_at": "2021-11-28T01:38:55.467000Z",
"spacegroup": 12
},
{
"id": "mp-10489",
"created_at": "2022-09-04T14:48:16.925769Z",
"structure_string": "Cs4 Ti2 Cu4 Se8\n1.0\n5.913543 0.000000 0.000000\n0.000000 5.913543 0.000000\n0.000000 0.000000 14.540379\nCs Ti Cu Se\n4 2 4 8\ndirect\n0.757431 0.757431 0.000000 Cs\n0.242569 0.757431 0.500000 Cs\n0.757431 0.242569 0.500000 Cs\n0.242569 0.242569 0.000000 Cs\n0.500000 0.500000 0.250000 Ti\n0.500000 0.500000 0.750000 Ti\n0.000000 0.500000 0.750000 Cu\n0.500000 0.000000 0.750000 Cu\n0.500000 0.000000 0.250000 Cu\n0.000000 0.500000 0.250000 Cu\n0.739867 0.260133 0.156823 Se\n0.739867 0.739867 0.343177 Se\n0.260133 0.260133 0.656823 Se\n0.739867 0.739867 0.656823 Se\n0.260133 0.260133 0.343177 Se\n0.739867 0.260133 0.843177 Se\n0.260133 0.739867 0.843177 Se\n0.260133 0.739867 0.156823 Se\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cs",
"Ti",
"Cu",
"Se"
],
"chemical_system": "Cs-Cu-Se-Ti",
"density": 4.941739748283294,
"density_atomic": 0.03539983682719539,
"volume": 508.47692004534247,
"volume_molar": 17.01177547624621,
"formula_full": "Cs4 Ti2 Cu4 Se8",
"formula_reduced": "Cs2Ti(CuSe2)2",
"formula_anonymous": "AB2C2D4",
"energy": -84.82580964000002,
"energy_per_atom": -4.7125449800000005,
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"total_magnetization": 0.0006646,
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"updated_at": "2021-11-28T01:38:52.006000Z",
"spacegroup": 132
}
]
}