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{
"id": "mp-1287",
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{
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"structure_string": "Mg4 Ga10\n1.0\n-4.331063 4.331063 3.608543\n4.331063 -4.331063 3.608543\n4.331063 4.331063 -3.608543\nMg Ga\n4 10\ndirect\n0.699424 0.699424 0.398849 Mg\n0.699424 0.300576 0.000000 Mg\n0.300576 0.699424 0.000000 Mg\n0.300576 0.300576 0.601151 Mg\n0.181235 0.884305 0.703070 Ga\n0.478166 0.181235 0.296930 Ga\n0.884305 0.181235 0.703070 Ga\n0.181235 0.478166 0.296930 Ga\n0.710063 0.710063 0.000000 Ga\n0.289937 0.289937 0.000000 Ga\n0.521834 0.818765 0.703070 Ga\n0.818765 0.115695 0.296930 Ga\n0.818765 0.521834 0.703070 Ga\n0.115695 0.818765 0.296930 Ga\n",
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{
"id": "mp-766811",
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"structure_string": "Li4 Co4 P4 O16\n1.0\n-2.576478 4.460729 0.036297\n-0.036486 0.059171 9.353733\n7.768555 4.483327 -0.001924\nLi Co P O\n4 4 4 16\ndirect\n0.495194 0.742591 0.500266 Li\n0.995180 0.742643 0.000193 Li\n0.995167 0.242676 0.999689 Li\n0.495129 0.242740 0.499734 Li\n0.996874 0.347106 0.666631 Co\n0.497019 0.847160 0.833422 Co\n0.496871 0.347337 0.166599 Co\n0.996939 0.847342 0.333462 Co\n0.500936 0.712305 0.169663 P\n0.000798 0.712083 0.669640 P\n0.000881 0.212350 0.330328 P\n0.500789 0.212178 0.830306 P\n0.633916 0.770397 0.026106 O\n0.133815 0.770026 0.525985 O\n0.133909 0.270531 0.474106 O\n0.633857 0.270193 0.973990 O\n0.531883 0.550134 0.175827 O\n0.031136 0.549922 0.676016 O\n0.031804 0.050153 0.324022 O\n0.531514 0.050038 0.823947 O\n0.633159 0.779737 0.309430 O\n0.133395 0.779439 0.809322 O\n0.133031 0.279802 0.190564 O\n0.633101 0.279594 0.690700 O\n0.208704 0.758439 0.169257 O\n0.708598 0.758337 0.669278 O\n0.708459 0.258296 0.330770 O\n0.208543 0.258246 0.830748 O\n",
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{
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"created_at": "2022-09-04T14:40:15.340898Z",
"structure_string": "U4 Ta4 N8\n1.0\n3.233169 0.000000 0.000000\n0.000000 5.641341 0.000000\n0.000000 0.000000 11.062625\nU Ta N\n4 4 8\ndirect\n0.250000 0.579280 0.857019 U\n0.750000 0.420720 0.142981 U\n0.750000 0.920720 0.357019 U\n0.250000 0.079280 0.642981 U\n0.250000 0.923172 0.102630 Ta\n0.750000 0.076828 0.897370 Ta\n0.750000 0.576828 0.602630 Ta\n0.250000 0.423172 0.397370 Ta\n0.250000 0.662160 0.245079 N\n0.750000 0.337840 0.754921 N\n0.750000 0.837840 0.745079 N\n0.250000 0.162160 0.254921 N\n0.250000 0.759143 0.504226 N\n0.750000 0.240857 0.495774 N\n0.750000 0.740857 0.004226 N\n0.250000 0.259143 0.995774 N\n",
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{
"id": "mp-15065",
"created_at": "2022-09-04T14:40:15.342825Z",
"structure_string": "Cu2 Ir4 S8\n1.0\n0.000000 4.960101 4.960101\n4.960101 0.000000 4.960101\n4.960101 4.960101 0.000000\nCu Ir S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Cu\n0.625000 0.625000 0.625000 Ir\n0.625000 0.625000 0.125000 Ir\n0.125000 0.625000 0.625000 Ir\n0.625000 0.125000 0.625000 Ir\n0.385433 0.385433 0.843702 S\n0.385433 0.385433 0.385433 S\n0.864567 0.864567 0.864567 S\n0.864567 0.864567 0.406298 S\n0.385433 0.843702 0.385433 S\n0.843702 0.385433 0.385433 S\n0.406298 0.864567 0.864567 S\n0.864567 0.406298 0.864567 S\n",
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{
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"structure_string": "K2 Au2 N8 O24\n1.0\n7.345312 0.000000 0.000000\n0.000000 8.660385 0.000000\n0.000000 5.297277 8.937113\nK Au N O\n2 2 8 24\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.244181 0.696983 0.161502 N\n0.392372 0.166550 0.671036 N\n0.892372 0.833450 0.828964 N\n0.607628 0.833450 0.328964 N\n0.255819 0.696983 0.661502 N\n0.744181 0.303017 0.338498 N\n0.755819 0.303017 0.838498 N\n0.107628 0.166550 0.171036 N\n0.984024 0.069723 0.250824 O\n0.803653 0.434989 0.224457 O\n0.296255 0.755094 0.031837 O\n0.350892 0.170007 0.541305 O\n0.295844 0.267520 0.693278 O\n0.515976 0.069723 0.750824 O\n0.704156 0.732480 0.306722 O\n0.696347 0.434989 0.724457 O\n0.149108 0.170007 0.041305 O\n0.484024 0.930277 0.249176 O\n0.850892 0.829993 0.958695 O\n0.015976 0.930277 0.749176 O\n0.606071 0.217759 0.312695 O\n0.796255 0.244906 0.468163 O\n0.106071 0.782241 0.187305 O\n0.893929 0.217759 0.812695 O\n0.303653 0.565011 0.275543 O\n0.649108 0.829993 0.458695 O\n0.196347 0.565011 0.775543 O\n0.703745 0.244906 0.968163 O\n0.795844 0.732480 0.806722 O\n0.393929 0.782241 0.687305 O\n0.204156 0.267520 0.193278 O\n0.203745 0.755094 0.531837 O\n",
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{
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{
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{
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"elements": [
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],
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"volume_molar": 9.382172819476732,
"formula_full": "K2 Np2 N6 O22",
"formula_reduced": "KNpN3O11",
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"updated_at": "2021-11-28T01:34:59.355000Z",
"spacegroup": 167
},
{
"id": "mp-1222810",
"created_at": "2022-09-04T14:40:15.381857Z",
"structure_string": "Li4 In2 P4 H2 O16\n1.0\n8.367902 0.000000 0.000000\n0.000000 4.892623 0.000000\n0.000000 1.801700 7.637773\nLi In P H O\n4 2 4 2 16\ndirect\n0.133232 0.635082 0.905919 Li\n0.365362 0.142913 0.411527 Li\n0.865362 0.857087 0.588473 Li\n0.633232 0.364918 0.094081 Li\n0.500200 0.750248 0.744684 In\n0.000200 0.249752 0.255316 In\n0.345645 0.115511 0.017437 P\n0.150969 0.609777 0.525373 P\n0.650969 0.390223 0.474627 P\n0.845645 0.884489 0.982563 P\n0.486275 0.795881 0.236088 H\n0.986275 0.204119 0.763912 H\n0.186627 0.246176 0.057283 O\n0.312657 0.746782 0.555953 O\n0.812657 0.253218 0.444047 O\n0.686627 0.753824 0.942717 O\n0.428815 0.991526 0.202218 O\n0.069630 0.481680 0.702159 O\n0.569630 0.518320 0.297841 O\n0.928815 0.008474 0.797782 O\n0.320350 0.883899 0.915689 O\n0.181036 0.388495 0.413891 O\n0.681036 0.611505 0.586109 O\n0.820350 0.116101 0.084311 O\n0.463355 0.340540 0.920220 O\n0.036848 0.838375 0.420301 O\n0.536849 0.161625 0.579699 O\n0.963355 0.659460 0.079780 O\n",
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"elements": [
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],
"chemical_system": "H-In-Li-O-P",
"density": 3.3949205837097733,
"density_atomic": 0.08954326928493918,
"volume": 312.69798638801194,
"volume_molar": 6.725397462132757,
"formula_full": "Li4 In2 P4 H2 O16",
"formula_reduced": "Li2InP2HO8",
"formula_anonymous": "ABC2D2E8",
"energy": -190.31195863,
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"updated_at": "2021-11-28T01:34:54.026000Z",
"spacegroup": 4
},
{
"id": "mp-759326",
"created_at": "2022-09-04T14:40:14.576256Z",
"structure_string": "Li6 Mn11 O2 F24\n1.0\n8.385603 0.000000 0.000000\n-0.027254 8.540299 0.000000\n-2.652932 -2.978379 8.093721\nLi Mn O F\n6 11 2 24\ndirect\n0.411802 0.094274 0.237480 Li\n0.085797 0.210670 0.451802 Li\n0.293855 0.573428 0.936390 Li\n0.704036 0.383496 0.084794 Li\n0.925941 0.802539 0.551073 Li\n0.581075 0.897458 0.741808 Li\n0.285381 0.112447 0.851574 Mn\n0.869996 0.217162 0.740393 Mn\n0.008327 0.000500 0.992197 Mn\n0.484271 0.284123 0.672897 Mn\n0.707608 0.391402 0.474243 Mn\n0.151924 0.355774 0.153830 Mn\n0.868610 0.612778 0.851655 Mn\n0.281975 0.630167 0.573375 Mn\n0.530071 0.720711 0.333608 Mn\n0.126138 0.797767 0.253282 Mn\n0.722204 0.882338 0.156865 Mn\n0.233181 0.133602 0.064962 O\n0.718531 0.404047 0.720810 O\n0.996452 0.001629 0.745443 F\n0.635596 0.069135 0.676925 F\n0.621095 0.100635 0.199049 F\n0.248280 0.147640 0.618901 F\n0.896168 0.234347 0.516892 F\n0.496850 0.288408 0.920594 F\n0.110785 0.392804 0.907533 F\n0.454653 0.293542 0.427348 F\n0.890110 0.249393 0.023520 F\n0.128612 0.404230 0.391763 F\n0.654579 0.492020 0.285795 F\n0.342905 0.504605 0.734586 F\n0.888351 0.627003 0.625122 F\n0.107120 0.755017 0.986416 F\n0.277329 0.592292 0.242447 F\n0.519809 0.691221 0.555011 F\n0.872747 0.660285 0.108194 F\n0.765900 0.860514 0.913887 F\n0.506939 0.705908 0.086172 F\n0.105616 0.762020 0.464213 F\n0.759270 0.858622 0.391914 F\n0.369170 0.875733 0.774079 F\n0.366816 0.920007 0.322503 F\n0.994127 0.008307 0.238659 F\n",
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],
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"formula_full": "Li6 Mn11 O2 F24",
"formula_reduced": "Li6Mn11(OF12)2",
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}
]
}