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{
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"results": [
{
"id": "mp-558631",
"created_at": "2022-09-04T14:48:07.026647Z",
"structure_string": "Mn6 P4 O16\n1.0\n6.777374 0.000000 0.000000\n0.000000 5.316205 0.000000\n0.000000 4.510284 9.060741\nMn P O\n6 4 16\ndirect\n0.656400 0.784807 0.127657 Mn\n0.343600 0.215193 0.872343 Mn\n0.843600 0.784807 0.627657 Mn\n0.500000 0.500000 0.500000 Mn\n0.156400 0.215193 0.372343 Mn\n0.000000 0.500000 0.000000 Mn\n0.833446 0.156402 0.807467 P\n0.666554 0.156402 0.307467 P\n0.166554 0.843598 0.192533 P\n0.333446 0.843598 0.692533 P\n0.872697 0.859170 0.817068 O\n0.627303 0.859170 0.317068 O\n0.486461 0.264095 0.362989 O\n0.290933 0.631210 0.855144 O\n0.709067 0.368790 0.144856 O\n0.343367 0.870088 0.088720 O\n0.127303 0.140830 0.182932 O\n0.372697 0.140830 0.682932 O\n0.656633 0.129912 0.911280 O\n0.209067 0.631210 0.355144 O\n0.790933 0.368790 0.644856 O\n0.513539 0.735905 0.637011 O\n0.013539 0.264095 0.862989 O\n0.986461 0.735905 0.137011 O\n0.843367 0.129912 0.411280 O\n0.156633 0.870088 0.588720 O\n",
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"formula_full": "Mn6 P4 O16",
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{
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"structure_string": "Li2 Mn2 V2 P8 O28\n1.0\n7.040973 0.000000 0.000000\n0.284817 8.181593 0.000000\n3.078347 0.030797 9.195851\nLi Mn V P O\n2 2 2 8 28\ndirect\n0.328930 0.862618 0.584572 Li\n0.671087 0.357754 0.912935 Li\n0.733628 0.007154 0.390966 Mn\n0.721644 0.992522 0.896460 Mn\n0.275096 0.505767 0.108984 V\n0.280659 0.495507 0.601368 V\n0.481998 0.175656 0.199970 P\n0.909999 0.780472 0.110075 P\n0.087208 0.286898 0.391524 P\n0.515200 0.678859 0.302368 P\n0.477030 0.177576 0.702843 P\n0.907594 0.780956 0.609741 P\n0.091113 0.291185 0.893919 P\n0.516420 0.681767 0.799296 P\n0.161242 0.340509 0.022006 O\n0.105117 0.677717 0.069210 O\n0.529622 0.038661 0.088249 O\n0.486182 0.344967 0.124884 O\n0.393870 0.661459 0.195303 O\n0.093735 0.439812 0.294548 O\n0.252542 0.152789 0.299682 O\n0.745633 0.653028 0.204409 O\n0.910080 0.931725 0.200184 O\n0.609656 0.174658 0.301542 O\n0.488179 0.844189 0.375623 O\n0.472521 0.536029 0.411365 O\n0.155823 0.338614 0.521559 O\n0.111590 0.688475 0.571075 O\n0.893862 0.200208 0.441781 O\n0.855018 0.826920 0.472440 O\n0.517725 0.039051 0.592176 O\n0.481573 0.347739 0.633144 O\n0.393014 0.668691 0.692982 O\n0.099452 0.440945 0.792633 O\n0.248002 0.150803 0.803891 O\n0.750251 0.648648 0.701402 O\n0.907742 0.930732 0.703950 O\n0.609924 0.176468 0.801648 O\n0.494520 0.847893 0.865988 O\n0.480708 0.537477 0.907984 O\n0.888937 0.214673 0.938126 O\n0.861268 0.821578 0.969846 O\n",
"nsites": 42,
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],
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"density_atomic": 0.0792842302869689,
"volume": 529.7396449203227,
"volume_molar": 7.595635018720482,
"formula_full": "Li2 Mn2 V2 P8 O28",
"formula_reduced": "LiMnV(P2O7)2",
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"spacegroup": 1
},
{
"id": "mp-32027",
"created_at": "2022-09-04T14:39:24.336259Z",
"structure_string": "Li4 Mn6 P8 O28\n1.0\n5.360708 0.000000 0.000000\n2.068550 6.312817 0.000000\n2.023305 1.785814 15.997282\nLi Mn P O\n4 6 8 28\ndirect\n0.925985 0.783260 0.004507 Li\n0.355052 0.690717 0.116578 Li\n0.074015 0.216740 0.995493 Li\n0.644948 0.309283 0.883422 Li\n0.255436 0.970928 0.331798 Mn\n0.744564 0.029072 0.668202 Mn\n0.963997 0.381393 0.186751 Mn\n0.036003 0.618607 0.813249 Mn\n0.837298 0.708804 0.424058 Mn\n0.162702 0.291196 0.575942 Mn\n0.167204 0.092334 0.790644 P\n0.563720 0.243245 0.073301 P\n0.370696 0.443012 0.317945 P\n0.717996 0.217190 0.461118 P\n0.436280 0.756755 0.926699 P\n0.629304 0.556988 0.682055 P\n0.832796 0.907666 0.209356 P\n0.282004 0.782810 0.538882 P\n0.326638 0.139654 0.709538 O\n0.577884 0.158743 0.545920 O\n0.599349 0.468848 0.257749 O\n0.605204 0.053660 0.150201 O\n0.891744 0.023227 0.418710 O\n0.865410 0.379217 0.465073 O\n0.978673 0.713980 0.160296 O\n0.283273 0.859656 0.004809 O\n0.219474 0.304322 0.290339 O\n0.737443 0.678180 0.928230 O\n0.467819 0.322697 0.407022 O\n0.977585 0.964564 0.782706 O\n0.673362 0.860346 0.290462 O\n0.716727 0.140344 0.995191 O\n0.780526 0.695678 0.709661 O\n0.394796 0.946340 0.849799 O\n0.400651 0.531152 0.742251 O\n0.182908 0.659634 0.339142 O\n0.134590 0.620783 0.534927 O\n0.322209 0.584440 0.907806 O\n0.677791 0.415560 0.092194 O\n0.021327 0.286020 0.839704 O\n0.022415 0.035436 0.217294 O\n0.817092 0.340366 0.660858 O\n0.422116 0.841257 0.454080 O\n0.532181 0.677303 0.592978 O\n0.108256 0.976773 0.581290 O\n0.262557 0.321820 0.071770 O\n",
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"density_atomic": 0.08497012937305089,
"volume": 541.3667172147364,
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"formula_full": "Li4 Mn6 P8 O28",
"formula_reduced": "Li2Mn3(P2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -364.30353429,
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"updated_at": "2021-11-28T01:34:23.175000Z",
"spacegroup": 2
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{
"id": "mp-764248",
"created_at": "2022-09-04T14:47:01.883162Z",
"structure_string": "Li4 V2 Cr2 P8 O28\n1.0\n8.225189 0.000000 0.000000\n0.000000 7.147603 0.000000\n0.000000 3.549062 9.064481\nLi V Cr P O\n4 2 2 8 28\ndirect\n0.637335 0.676669 0.499651 Li\n0.137335 0.323331 0.500349 Li\n0.637328 0.675771 0.001167 Li\n0.137328 0.324229 0.998833 Li\n0.000684 0.729183 0.493325 V\n0.500684 0.270817 0.506675 V\n0.999929 0.727610 0.993550 Cr\n0.499929 0.272390 0.006450 Cr\n0.215403 0.913434 0.687904 P\n0.320221 0.521402 0.689714 P\n0.820221 0.478598 0.310286 P\n0.216869 0.914930 0.185220 P\n0.715403 0.086566 0.312096 P\n0.319398 0.523109 0.187986 P\n0.819398 0.476891 0.812014 P\n0.716869 0.085070 0.814780 P\n0.347655 0.753152 0.670863 O\n0.065030 0.916797 0.592955 O\n0.820334 0.605469 0.646871 O\n0.156012 0.505036 0.621345 O\n0.462848 0.481795 0.602260 O\n0.677568 0.146519 0.651536 O\n0.303216 0.114631 0.627325 O\n0.803216 0.885369 0.372675 O\n0.177568 0.853481 0.348464 O\n0.962848 0.518205 0.397740 O\n0.656012 0.494964 0.378655 O\n0.320334 0.394531 0.353129 O\n0.565030 0.083203 0.407045 O\n0.847655 0.246848 0.329137 O\n0.348775 0.753673 0.170115 O\n0.066531 0.917288 0.091616 O\n0.821871 0.606761 0.145378 O\n0.153795 0.509581 0.119107 O\n0.461744 0.481609 0.101798 O\n0.675420 0.147412 0.149443 O\n0.306454 0.116500 0.125682 O\n0.806454 0.883500 0.874318 O\n0.175420 0.852588 0.850557 O\n0.961744 0.518391 0.898202 O\n0.653795 0.490419 0.880893 O\n0.321871 0.393239 0.854622 O\n0.566531 0.082712 0.908384 O\n0.848775 0.246327 0.829885 O\n",
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"formula_full": "Li4 V2 Cr2 P8 O28",
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{
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"structure_string": "Fe6 C6 O21\n1.0\n4.279844 7.378624 0.000000\n-4.279844 7.378624 0.000000\n0.000000 0.099039 8.383166\nFe C O\n6 6 21\ndirect\n0.668208 0.666252 0.821952 Fe\n0.333748 0.331792 0.178048 Fe\n0.666274 0.666451 0.255980 Fe\n0.333549 0.333726 0.744020 Fe\n0.999556 0.002265 0.284935 Fe\n0.997735 0.000444 0.715065 Fe\n0.001755 0.339144 0.273863 C\n0.660856 0.998245 0.726137 C\n0.663535 0.000067 0.268014 C\n0.999933 0.336465 0.731986 C\n0.332915 0.664347 0.265736 C\n0.335653 0.667085 0.734264 C\n0.999697 0.000303 0.500000 O\n0.932109 0.240635 0.787248 O\n0.759365 0.067891 0.212752 O\n0.837360 0.424961 0.328873 O\n0.575039 0.162640 0.671127 O\n0.905297 0.510491 0.732119 O\n0.489509 0.094703 0.267881 O\n0.669462 0.669737 0.038315 O\n0.330263 0.330538 0.961685 O\n0.163874 0.259281 0.676211 O\n0.740719 0.836126 0.323789 O\n0.509956 0.586289 0.736036 O\n0.413711 0.490044 0.263964 O\n0.821807 0.932220 0.783451 O\n0.067780 0.178193 0.216549 O\n0.583249 0.901323 0.723908 O\n0.098677 0.416751 0.276092 O\n0.419062 0.743254 0.318041 O\n0.256746 0.580938 0.681959 O\n0.241075 0.831006 0.784384 O\n0.168994 0.758925 0.215616 O\n",
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"formula_full": "Fe6 C6 O21",
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{
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{
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"formula_full": "V8 O6 F18",
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{
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{
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{
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"structure_string": "Li2 Fe2 Si2 O8\n1.0\n5.468749 0.000000 0.000000\n0.000000 5.134794 0.000000\n0.000000 5.116846 6.941196\nLi Fe Si O\n2 2 2 8\ndirect\n0.406763 0.287303 0.181309 Li\n0.593237 0.287303 0.681309 Li\n0.185674 0.980478 0.000190 Fe\n0.814326 0.980478 0.500190 Fe\n0.682567 0.730011 0.249643 Si\n0.317433 0.730011 0.749643 Si\n0.866164 0.983332 0.072931 O\n0.405929 0.890032 0.197636 O\n0.679981 0.377616 0.284296 O\n0.757298 0.661569 0.457151 O\n0.133836 0.983332 0.572931 O\n0.594071 0.890032 0.697636 O\n0.320019 0.377616 0.784296 O\n0.242702 0.661569 0.957151 O\n",
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"formula_full": "Li2 Fe2 Si2 O8",
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{
"id": "mp-1174121",
"created_at": "2022-09-04T14:41:09.243269Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n1.447281 9.621594 0.000000\n-1.447281 9.621594 0.000000\n0.000000 0.571008 5.202786\nLi Mn Co O\n5 2 1 8\ndirect\n0.619600 0.619600 0.619937 Li\n0.380400 0.380400 0.380063 Li\n0.118127 0.118127 0.119725 Li\n0.881873 0.881873 0.880275 Li\n0.000000 0.000000 0.500000 Li\n0.251506 0.251506 0.748958 Mn\n0.748494 0.748494 0.251042 Mn\n0.500000 0.500000 0.000000 Co\n0.692545 0.692545 0.904686 O\n0.446873 0.446873 0.736059 O\n0.189550 0.189550 0.410278 O\n0.944292 0.944292 0.166962 O\n0.553127 0.553127 0.263941 O\n0.307455 0.307455 0.095314 O\n0.055708 0.055708 0.833038 O\n0.810450 0.810450 0.589722 O\n",
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{
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"structure_string": "Li4 Mn2 F8\n1.0\n2.738870 4.744743 0.000000\n-2.738870 4.744743 0.000000\n0.000000 0.048327 6.134133\nLi Mn F\n4 2 8\ndirect\n0.300220 0.378991 0.165569 Li\n0.024249 0.975751 0.500000 Li\n0.022483 0.977517 0.000000 Li\n0.621009 0.699780 0.834431 Li\n0.409363 0.286446 0.674496 Mn\n0.713554 0.590637 0.325504 Mn\n0.352658 0.105483 0.950751 F\n0.150488 0.301534 0.426464 F\n0.265959 0.712381 0.741076 F\n0.794449 0.263868 0.746785 F\n0.736132 0.205551 0.253215 F\n0.287619 0.734041 0.258924 F\n0.698466 0.849512 0.573536 F\n0.894517 0.647342 0.049249 F\n",
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]
}