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{
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"structure_string": "Li12 Al4 Fe8 O24\n1.0\n10.348562 0.000000 0.000000\n0.000000 5.946774 0.000000\n0.000000 5.859202 8.215318\nLi Al Fe O\n12 4 8 24\ndirect\n0.997779 0.521181 0.636070 Li\n0.657980 0.556860 0.623933 Li\n0.997084 0.035306 0.116101 Li\n0.157980 0.443140 0.876067 Li\n0.497084 0.964694 0.383899 Li\n0.497779 0.478819 0.863930 Li\n0.502221 0.521181 0.136070 Li\n0.502916 0.035306 0.616101 Li\n0.842020 0.556860 0.123933 Li\n0.002916 0.964694 0.883899 Li\n0.342020 0.443140 0.376067 Li\n0.002221 0.478819 0.363930 Li\n0.332476 0.039442 0.126461 Al\n0.832476 0.960558 0.373539 Al\n0.167524 0.039442 0.626461 Al\n0.667524 0.960558 0.873539 Al\n0.333810 0.549135 0.621385 Fe\n0.653451 0.047266 0.126923 Fe\n0.833810 0.450865 0.878615 Fe\n0.153451 0.952734 0.373077 Fe\n0.846549 0.047266 0.626923 Fe\n0.166190 0.549135 0.121385 Fe\n0.346549 0.952734 0.873077 Fe\n0.666190 0.450865 0.378615 Fe\n0.330481 0.267897 0.883546 O\n0.681869 0.795568 0.370844 O\n0.987743 0.303407 0.876485 O\n0.985393 0.818610 0.371096 O\n0.316958 0.792406 0.366913 O\n0.671820 0.266166 0.880558 O\n0.171820 0.733834 0.619442 O\n0.816958 0.207594 0.133087 O\n0.485393 0.181390 0.128904 O\n0.487743 0.696593 0.623515 O\n0.830481 0.732103 0.616454 O\n0.181869 0.204432 0.129156 O\n0.818131 0.795568 0.870844 O\n0.169519 0.267897 0.383546 O\n0.512257 0.303407 0.376485 O\n0.514607 0.818610 0.871096 O\n0.183042 0.792406 0.866913 O\n0.828180 0.266166 0.380558 O\n0.328180 0.733834 0.119442 O\n0.683042 0.207594 0.633087 O\n0.014607 0.181390 0.628904 O\n0.012257 0.696593 0.123515 O\n0.318131 0.204432 0.629156 O\n0.669519 0.732103 0.116454 O\n",
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{
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{
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"created_at": "2022-09-04T14:42:13.845478Z",
"structure_string": "Cr3 Cu1 P4 O16\n1.0\n5.806100 0.000000 0.000000\n0.000000 4.786745 0.000000\n0.000000 0.156066 9.902872\nCr Cu P O\n3 1 4 16\ndirect\n0.000000 0.471670 0.771734 Cr\n0.500000 0.533402 0.224236 Cr\n0.500000 0.968889 0.730047 Cr\n0.000000 0.073324 0.282339 Cu\n0.500000 0.090363 0.404540 P\n0.500000 0.406949 0.907604 P\n0.000000 0.574209 0.094528 P\n0.000000 0.920817 0.594018 P\n0.500000 0.161743 0.553486 O\n0.299244 0.252003 0.327716 O\n0.700756 0.252003 0.327716 O\n0.000000 0.234795 0.613683 O\n0.000000 0.255450 0.109675 O\n0.294710 0.261464 0.828470 O\n0.705290 0.261464 0.828470 O\n0.500000 0.318400 0.055263 O\n0.000000 0.661991 0.945876 O\n0.788839 0.708807 0.168316 O\n0.211161 0.708807 0.168316 O\n0.500000 0.722900 0.890042 O\n0.500000 0.778268 0.382224 O\n0.795461 0.766900 0.672874 O\n0.204539 0.766900 0.672874 O\n0.000000 0.848480 0.445955 O\n",
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{
"id": "mp-1189428",
"created_at": "2022-09-04T14:42:15.651805Z",
"structure_string": "Cs4 Ir2 Cl10 O2\n1.0\n3.595765 -8.974723 0.000000\n3.595765 8.974723 0.000000\n0.000000 0.000000 8.723788\nCs Ir Cl O\n4 2 10 2\ndirect\n0.528251 0.471749 0.750000 Cs\n0.471749 0.528251 0.250000 Cs\n0.241043 0.758957 0.750000 Cs\n0.758957 0.241043 0.250000 Cs\n0.890278 0.109722 0.750000 Ir\n0.109722 0.890278 0.250000 Ir\n0.755916 0.244084 0.750000 Cl\n0.244084 0.755916 0.250000 Cl\n0.651825 0.881390 0.557779 Cl\n0.881390 0.651825 0.442221 Cl\n0.651825 0.881390 0.942221 Cl\n0.881390 0.651825 0.057779 Cl\n0.348175 0.118610 0.442221 Cl\n0.118610 0.348175 0.557779 Cl\n0.348175 0.118610 0.057779 Cl\n0.118610 0.348175 0.942221 Cl\n0.991036 0.008964 0.750000 O\n0.008964 0.991036 0.250000 O\n",
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{
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"structure_string": "Li4 Fe8 N8\n1.0\n4.960598 0.000000 0.102753\n0.000000 5.968376 0.000000\n0.157390 0.000000 5.946704\nLi Fe N\n4 8 8\ndirect\n0.368248 0.464482 0.861206 Li\n0.631752 0.964482 0.638794 Li\n0.631752 0.535518 0.138794 Li\n0.368248 0.035518 0.361206 Li\n0.100986 0.163058 0.765069 Fe\n0.899014 0.663058 0.734931 Fe\n0.899014 0.836942 0.234931 Fe\n0.100986 0.336942 0.265069 Fe\n0.682361 0.367033 0.523715 Fe\n0.317639 0.867033 0.976285 Fe\n0.317639 0.632967 0.476285 Fe\n0.682361 0.132967 0.023715 Fe\n0.198986 0.853907 0.684620 N\n0.801014 0.353907 0.815380 N\n0.801014 0.146093 0.315380 N\n0.198986 0.646093 0.184620 N\n0.299142 0.320899 0.535562 N\n0.700858 0.820899 0.964438 N\n0.700858 0.679101 0.464438 N\n0.299142 0.179101 0.035562 N\n",
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{
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{
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"structure_string": "Hf1 Mg6 Ti1 O8\n1.0\n8.830097 0.000000 0.000000\n-0.000000 4.304045 0.000000\n0.000000 0.000000 4.304045\nHf Mg Ti O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.257129 -0.000000 0.500000 Mg\n0.742871 0.000000 0.500000 Mg\n0.257129 0.500000 0.000000 Mg\n0.742871 0.500000 -0.000000 Mg\n0.000000 0.000000 0.000000 Ti\n0.260037 0.000000 -0.000000 O\n0.739963 -0.000000 0.000000 O\n0.257062 0.500000 0.500000 O\n0.742938 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"spacegroup": 2
},
{
"id": "mp-753431",
"created_at": "2022-09-04T14:42:14.565471Z",
"structure_string": "Li2 Mn4 O4 F6\n1.0\n2.494492 5.594780 0.000000\n-2.494492 5.594780 0.000000\n0.000000 2.311808 6.474040\nLi Mn O F\n2 4 4 6\ndirect\n0.492352 0.513673 0.750943 Li\n0.486327 0.507648 0.249057 Li\n0.786304 0.843363 0.612123 Mn\n0.838431 0.787948 0.113099 Mn\n0.156637 0.213696 0.387877 Mn\n0.212052 0.161569 0.886901 Mn\n0.984030 0.624368 0.377123 O\n0.621042 0.982816 0.878769 O\n0.375632 0.015970 0.622877 O\n0.017184 0.378958 0.121231 O\n0.216885 0.783115 0.000000 F\n0.586763 0.173898 0.194667 F\n0.172592 0.587306 0.693837 F\n0.826102 0.413237 0.805333 F\n0.412694 0.827408 0.306163 F\n0.787271 0.212729 0.500000 F\n",
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"elements": [
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],
"chemical_system": "F-Li-Mn-O",
"density": 3.782486467287602,
"density_atomic": 0.08854203094369123,
"volume": 180.70513889810462,
"volume_molar": 6.801448640623358,
"formula_full": "Li2 Mn4 O4 F6",
"formula_reduced": "LiMn2O2F3",
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},
{
"id": "mp-1214035",
"created_at": "2022-09-04T14:42:15.688194Z",
"structure_string": "Ce6 Cu24 P12\n1.0\n0.000000 0.000000 3.845246\n10.915552 0.000000 0.000000\n0.000000 14.717318 0.000000\nCe Cu P\n6 24 12\ndirect\n0.000000 0.122032 0.727013 Ce\n0.000000 0.877968 0.272987 Ce\n0.500000 0.377968 0.227013 Ce\n0.500000 0.622032 0.772987 Ce\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.000000 0.071097 0.438184 Cu\n0.000000 0.928903 0.561816 Cu\n0.500000 0.428903 0.938184 Cu\n0.500000 0.571097 0.061816 Cu\n0.000000 0.397175 0.053361 Cu\n0.000000 0.602825 0.946639 Cu\n0.500000 0.102825 0.553361 Cu\n0.500000 0.897175 0.446639 Cu\n0.000000 0.577853 0.330068 Cu\n0.000000 0.422147 0.669932 Cu\n0.500000 0.922147 0.830068 Cu\n0.500000 0.077853 0.169932 Cu\n0.000000 0.265707 0.535510 Cu\n0.000000 0.734293 0.464490 Cu\n0.500000 0.234293 0.035510 Cu\n0.500000 0.765707 0.964490 Cu\n0.000000 0.743641 0.088634 Cu\n0.000000 0.256359 0.911366 Cu\n0.500000 0.756359 0.588634 Cu\n0.500000 0.243641 0.411366 Cu\n0.000000 0.174421 0.287295 Cu\n0.000000 0.825579 0.712705 Cu\n0.500000 0.325579 0.787295 Cu\n0.500000 0.674421 0.212705 Cu\n0.000000 0.371552 0.383559 P\n0.000000 0.628448 0.616441 P\n0.500000 0.128448 0.883559 P\n0.500000 0.871552 0.116441 P\n0.000000 0.556014 0.164619 P\n0.000000 0.443986 0.835381 P\n0.500000 0.943986 0.664619 P\n0.500000 0.056014 0.335381 P\n0.000000 0.205385 0.131191 P\n0.000000 0.794615 0.868809 P\n0.500000 0.294615 0.631191 P\n0.500000 0.705385 0.368809 P\n",
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{
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"created_at": "2022-09-04T14:42:23.078851Z",
"structure_string": "Mn4 Nb8 S16\n1.0\n3.360848 0.000000 0.000000\n0.000000 10.906816 0.000000\n0.000000 0.000000 13.121112\nMn Nb S\n4 8 16\ndirect\n0.250000 0.252195 0.339126 Mn\n0.250000 0.752195 0.160874 Mn\n0.750000 0.747805 0.660874 Mn\n0.750000 0.247805 0.839126 Mn\n0.250000 0.041662 0.583133 Nb\n0.250000 0.541662 0.916867 Nb\n0.750000 0.958338 0.416867 Nb\n0.750000 0.458338 0.083133 Nb\n0.250000 0.114367 0.101933 Nb\n0.250000 0.614367 0.398067 Nb\n0.750000 0.885633 0.898067 Nb\n0.750000 0.385633 0.601933 Nb\n0.250000 0.325294 0.991922 S\n0.250000 0.825294 0.508078 S\n0.750000 0.674706 0.008078 S\n0.750000 0.174706 0.491922 S\n0.250000 0.243755 0.689678 S\n0.250000 0.743755 0.810322 S\n0.750000 0.756245 0.310322 S\n0.750000 0.256245 0.189678 S\n0.250000 0.061085 0.912963 S\n0.250000 0.561085 0.587037 S\n0.750000 0.938915 0.087037 S\n0.750000 0.438915 0.412963 S\n0.250000 0.032198 0.288602 S\n0.250000 0.532198 0.211398 S\n0.750000 0.967802 0.711398 S\n0.750000 0.467802 0.788602 S\n",
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"formula_full": "Mn4 Nb8 S16",
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}
]
}