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{
"count": 146323,
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"results": [
{
"id": "mp-757259",
"created_at": "2022-09-04T14:42:45.797402Z",
"structure_string": "Li12 Mn12 P12 O48\n1.0\n7.970377 0.000000 0.000000\n0.000000 8.837855 0.000000\n0.000000 8.612124 15.392553\nLi Mn P O\n12 12 12 48\ndirect\n0.991966 0.271698 0.935601 Li\n0.015462 0.637272 0.586584 Li\n0.867121 0.004299 0.246298 Li\n0.367121 0.995701 0.253702 Li\n0.515462 0.362728 0.913416 Li\n0.491966 0.728302 0.564399 Li\n0.508034 0.271698 0.435601 Li\n0.484538 0.637272 0.086584 Li\n0.632879 0.004299 0.746298 Li\n0.132879 0.995701 0.753702 Li\n0.984538 0.362728 0.413416 Li\n0.008034 0.728302 0.064399 Li\n0.664793 0.652263 0.404846 Mn\n0.823086 0.314861 0.763028 Mn\n0.664571 0.016868 0.081261 Mn\n0.164571 0.983132 0.418739 Mn\n0.323086 0.685139 0.736972 Mn\n0.164793 0.347737 0.095154 Mn\n0.835207 0.652263 0.904846 Mn\n0.676914 0.314861 0.263028 Mn\n0.835429 0.016868 0.581261 Mn\n0.335429 0.983132 0.918739 Mn\n0.176914 0.685139 0.236972 Mn\n0.335207 0.347737 0.595154 Mn\n0.258007 0.638832 0.412642 P\n0.221763 0.313446 0.772290 P\n0.264885 0.036157 0.071825 P\n0.764885 0.963843 0.428175 P\n0.721763 0.686554 0.727710 P\n0.758007 0.361168 0.087358 P\n0.241993 0.638832 0.912642 P\n0.278237 0.313446 0.272290 P\n0.235115 0.036157 0.571825 P\n0.735115 0.963843 0.928175 P\n0.778237 0.686554 0.227710 P\n0.741993 0.361168 0.587358 P\n0.573360 0.441085 0.596221 O\n0.880912 0.414737 0.631645 O\n0.782282 0.091812 0.961952 O\n0.054760 0.263891 0.825318 O\n0.367786 0.254173 0.839060 O\n0.767523 0.786200 0.280313 O\n0.215694 0.577168 0.509416 O\n0.286020 0.930384 0.172384 O\n0.433520 0.130997 0.030988 O\n0.226213 0.509782 0.704680 O\n0.272354 0.841387 0.364307 O\n0.126107 0.175827 0.046660 O\n0.626107 0.824173 0.453340 O\n0.772354 0.158613 0.135693 O\n0.726213 0.490218 0.795320 O\n0.933520 0.869003 0.469012 O\n0.786020 0.069616 0.327616 O\n0.715694 0.422832 0.990584 O\n0.867786 0.745827 0.660940 O\n0.267523 0.213800 0.219687 O\n0.554760 0.736109 0.674682 O\n0.282282 0.908188 0.538048 O\n0.380912 0.585263 0.868355 O\n0.073360 0.558915 0.903779 O\n0.926640 0.441085 0.096221 O\n0.619088 0.414737 0.131645 O\n0.717718 0.091812 0.461952 O\n0.445240 0.263891 0.325318 O\n0.732477 0.786200 0.780313 O\n0.132214 0.254173 0.339060 O\n0.284306 0.577168 0.009416 O\n0.213980 0.930384 0.672384 O\n0.066480 0.130997 0.530988 O\n0.273787 0.509782 0.204680 O\n0.227646 0.841387 0.864307 O\n0.373893 0.175827 0.546660 O\n0.873893 0.824173 0.953340 O\n0.727646 0.158613 0.635693 O\n0.773787 0.490218 0.295320 O\n0.566480 0.869003 0.969012 O\n0.713980 0.069616 0.827616 O\n0.784306 0.422832 0.490584 O\n0.232477 0.213800 0.719687 O\n0.632214 0.745827 0.160940 O\n0.945240 0.736109 0.174682 O\n0.217718 0.908188 0.038048 O\n0.119088 0.585263 0.368355 O\n0.426640 0.558915 0.403779 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.882568256726972,
"density_atomic": 0.07747166546288678,
"volume": 1084.2673834118186,
"volume_molar": 7.7733461956938825,
"formula_full": "Li12 Mn12 P12 O48",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -651.9921919999999,
"energy_per_atom": -7.761811809523809,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -599.000192,
"band_gap": 3.5981,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 60.2266192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.168000Z",
"spacegroup": 14
},
{
"id": "mp-758862",
"created_at": "2022-09-04T14:42:25.434485Z",
"structure_string": "Li12 Fe12 Si12 O48\n1.0\n8.081281 0.000000 0.000000\n0.000000 8.749803 0.000000\n0.000000 8.654582 15.198358\nLi Fe Si O\n12 12 12 48\ndirect\n0.475252 0.221043 0.059426 Li\n0.538009 0.868633 0.408054 Li\n0.344755 0.501067 0.749960 Li\n0.844755 0.498933 0.750040 Li\n0.038009 0.131367 0.091946 Li\n0.975252 0.778957 0.440574 Li\n0.024748 0.221043 0.559426 Li\n0.961991 0.868633 0.908054 Li\n0.155245 0.501067 0.249960 Li\n0.655245 0.498933 0.250040 Li\n0.461991 0.131367 0.591946 Li\n0.524748 0.778957 0.940574 Li\n0.775639 0.859791 0.594096 Fe\n0.709868 0.183270 0.229918 Fe\n0.780535 0.460433 0.927846 Fe\n0.280535 0.539567 0.572154 Fe\n0.209868 0.816730 0.270082 Fe\n0.275639 0.140209 0.905904 Fe\n0.724361 0.859791 0.094096 Fe\n0.790132 0.183270 0.729918 Fe\n0.719465 0.460433 0.427846 Fe\n0.219465 0.539567 0.072154 Fe\n0.290132 0.816730 0.770082 Fe\n0.224361 0.140209 0.405904 Fe\n0.171520 0.853938 0.591699 Si\n0.324208 0.186610 0.226999 Si\n0.173431 0.464336 0.924755 Si\n0.673431 0.535664 0.575245 Si\n0.824208 0.813390 0.273001 Si\n0.671520 0.146062 0.908301 Si\n0.328480 0.853938 0.091699 Si\n0.175792 0.186610 0.726999 Si\n0.326569 0.464336 0.424755 Si\n0.826569 0.535664 0.075245 Si\n0.675792 0.813390 0.773001 Si\n0.828480 0.146062 0.408301 Si\n0.007155 0.075785 0.391884 O\n0.853721 0.321626 0.135750 O\n0.716885 0.970456 0.473318 O\n0.773881 0.626676 0.804326 O\n0.286374 0.417669 0.012524 O\n0.501217 0.233443 0.173223 O\n0.359842 0.081612 0.334446 O\n0.270693 0.736976 0.685612 O\n0.995058 0.361740 0.961195 O\n0.139341 0.733995 0.543739 O\n0.268466 0.386590 0.867400 O\n0.214705 0.064158 0.198523 O\n0.768466 0.613410 0.632600 O\n0.714705 0.935842 0.301477 O\n0.639341 0.266005 0.956261 O\n0.495058 0.638260 0.538805 O\n0.770693 0.263024 0.814388 O\n0.859842 0.918388 0.165554 O\n0.001217 0.766557 0.326777 O\n0.273881 0.373324 0.695674 O\n0.786374 0.582331 0.487476 O\n0.216885 0.029544 0.026682 O\n0.353721 0.678374 0.364250 O\n0.507155 0.924215 0.108116 O\n0.492845 0.075785 0.891884 O\n0.646279 0.321626 0.635750 O\n0.783115 0.970456 0.973318 O\n0.213626 0.417669 0.512524 O\n0.726119 0.626676 0.304326 O\n0.998783 0.233443 0.673223 O\n0.140158 0.081612 0.834446 O\n0.229307 0.736976 0.185612 O\n0.504942 0.361740 0.461195 O\n0.360659 0.733995 0.043739 O\n0.285295 0.064158 0.698523 O\n0.231534 0.386590 0.367400 O\n0.785295 0.935842 0.801477 O\n0.731534 0.613410 0.132600 O\n0.860659 0.266005 0.456261 O\n0.004942 0.638260 0.038805 O\n0.729307 0.263024 0.314388 O\n0.640158 0.918388 0.665554 O\n0.498783 0.766557 0.826777 O\n0.713626 0.582331 0.987476 O\n0.226119 0.373324 0.195674 O\n0.283115 0.029544 0.526682 O\n0.146279 0.678374 0.864250 O\n0.992845 0.924215 0.608116 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.871573683396367,
"density_atomic": 0.0781635242347924,
"volume": 1074.6700692214904,
"volume_molar": 7.70454098501281,
"formula_full": "Li12 Fe12 Si12 O48",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy": -636.49535842,
"energy_per_atom": -7.5773256954761905,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -576.44735842,
"band_gap": 3.0364,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 60.173078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.667000Z",
"spacegroup": 14
},
{
"id": "mp-757642",
"created_at": "2022-09-04T14:41:01.762664Z",
"structure_string": "Li12 Mn12 P12 O48\n1.0\n7.728622 0.000000 0.000000\n0.000000 8.493637 0.000000\n0.000000 8.329159 15.038593\nLi Mn P O\n12 12 12 48\ndirect\n0.769837 0.849799 0.593595 Li\n0.724155 0.180305 0.232325 Li\n0.776864 0.464539 0.922476 Li\n0.276864 0.535461 0.577524 Li\n0.224155 0.819695 0.267675 Li\n0.269837 0.150201 0.906405 Li\n0.730163 0.849799 0.093595 Li\n0.775845 0.180305 0.732325 Li\n0.723136 0.464539 0.422476 Li\n0.223136 0.535461 0.077524 Li\n0.275845 0.819695 0.767675 Li\n0.230163 0.150201 0.406405 Li\n0.474021 0.201639 0.066673 Mn\n0.524283 0.850141 0.408517 Mn\n0.431034 0.509912 0.752008 Mn\n0.931034 0.490088 0.747992 Mn\n0.024283 0.149859 0.091483 Mn\n0.974021 0.798361 0.433327 Mn\n0.025979 0.201639 0.566673 Mn\n0.975717 0.850141 0.908517 Mn\n0.068966 0.509912 0.252008 Mn\n0.568966 0.490088 0.247992 Mn\n0.475717 0.149859 0.591483 Mn\n0.525979 0.798361 0.933327 Mn\n0.178018 0.856241 0.590809 P\n0.320544 0.188703 0.231038 P\n0.177429 0.473863 0.924310 P\n0.677429 0.526137 0.575690 P\n0.820544 0.811297 0.268962 P\n0.678018 0.143759 0.909191 P\n0.321982 0.856241 0.090809 P\n0.179456 0.188703 0.731038 P\n0.322571 0.473863 0.424310 P\n0.822571 0.526137 0.075690 P\n0.679456 0.811297 0.768962 P\n0.821982 0.143759 0.409191 P\n0.995786 0.085266 0.385377 O\n0.859950 0.321758 0.124659 O\n0.713052 0.970149 0.465074 O\n0.776235 0.634333 0.790505 O\n0.293559 0.419069 0.007993 O\n0.494943 0.248018 0.178440 O\n0.358164 0.075945 0.331930 O\n0.271951 0.729218 0.679626 O\n0.006796 0.363776 0.954992 O\n0.143424 0.752937 0.538490 O\n0.268960 0.416865 0.860734 O\n0.216286 0.080307 0.195669 O\n0.768960 0.583135 0.639266 O\n0.716286 0.919693 0.304331 O\n0.643424 0.247063 0.961510 O\n0.506796 0.636224 0.545008 O\n0.771951 0.270782 0.820374 O\n0.858164 0.924055 0.168070 O\n0.994943 0.751982 0.321560 O\n0.276235 0.365667 0.709495 O\n0.793559 0.580931 0.492007 O\n0.213052 0.029851 0.034926 O\n0.359950 0.678242 0.375341 O\n0.495786 0.914734 0.114623 O\n0.504214 0.085266 0.885377 O\n0.640050 0.321758 0.624659 O\n0.786948 0.970149 0.965074 O\n0.206441 0.419069 0.507993 O\n0.723765 0.634333 0.290505 O\n0.005057 0.248018 0.678440 O\n0.141836 0.075945 0.831930 O\n0.228049 0.729218 0.179626 O\n0.493204 0.363776 0.454992 O\n0.356576 0.752937 0.038490 O\n0.283714 0.080307 0.695669 O\n0.231040 0.416865 0.360734 O\n0.783714 0.919693 0.804331 O\n0.731040 0.583135 0.139266 O\n0.856576 0.247063 0.461510 O\n0.993204 0.636224 0.045008 O\n0.728049 0.270782 0.320374 O\n0.641836 0.924055 0.668070 O\n0.505057 0.751982 0.821560 O\n0.706441 0.580931 0.992007 O\n0.223765 0.365667 0.209495 O\n0.286948 0.029851 0.534926 O\n0.140050 0.678242 0.875341 O\n0.004214 0.914734 0.614623 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.16601541089025,
"density_atomic": 0.08508956767647681,
"volume": 987.1950498018805,
"volume_molar": 7.077413747002541,
"formula_full": "Li12 Mn12 P12 O48",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -652.0761105299999,
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"band_gap": 2.9955,
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"updated_at": "2021-11-28T01:35:13.521000Z",
"spacegroup": 14
},
{
"id": "mp-758436",
"created_at": "2022-09-04T14:44:06.851954Z",
"structure_string": "Li12 Fe12 Si12 O48\n1.0\n8.117417 0.000000 0.000000\n0.000000 8.750191 0.000000\n0.000000 8.658732 15.209543\nLi Fe Si O\n12 12 12 48\ndirect\n0.993991 0.260862 0.940187 Li\n0.016036 0.630830 0.584914 Li\n0.843567 0.004335 0.247027 Li\n0.343567 0.995665 0.252973 Li\n0.516036 0.369170 0.915086 Li\n0.493991 0.739138 0.559813 Li\n0.506009 0.260862 0.440187 Li\n0.483964 0.630830 0.084914 Li\n0.656433 0.004335 0.747027 Li\n0.156433 0.995665 0.752973 Li\n0.983964 0.369170 0.415086 Li\n0.006009 0.739138 0.059813 Li\n0.659411 0.649761 0.405668 Fe\n0.833448 0.313404 0.766887 Fe\n0.660153 0.025629 0.077266 Fe\n0.160153 0.974371 0.422734 Fe\n0.333448 0.686596 0.733113 Fe\n0.159411 0.350239 0.094332 Fe\n0.840589 0.649761 0.905668 Fe\n0.666552 0.313404 0.266887 Fe\n0.839847 0.025629 0.577266 Fe\n0.339847 0.974371 0.922734 Fe\n0.166552 0.686596 0.233113 Fe\n0.340589 0.350239 0.594332 Fe\n0.263143 0.638476 0.411689 Si\n0.218564 0.313469 0.771460 Si\n0.270154 0.037913 0.071780 Si\n0.770154 0.962087 0.428220 Si\n0.718564 0.686531 0.728540 Si\n0.763143 0.361524 0.088311 Si\n0.236857 0.638476 0.911689 Si\n0.281436 0.313469 0.271460 Si\n0.229846 0.037913 0.571780 Si\n0.729846 0.962087 0.928220 Si\n0.781436 0.686531 0.228540 Si\n0.736857 0.361524 0.588311 Si\n0.553903 0.429604 0.600661 O\n0.868082 0.415699 0.643325 O\n0.785042 0.080032 0.974056 O\n0.040637 0.262293 0.824439 O\n0.359722 0.222208 0.848766 O\n0.768088 0.771645 0.294384 O\n0.213980 0.551062 0.516215 O\n0.280348 0.906223 0.179366 O\n0.451319 0.132578 0.034726 O\n0.231092 0.526750 0.706492 O\n0.262969 0.855038 0.368632 O\n0.135358 0.195922 0.046870 O\n0.635358 0.804078 0.453130 O\n0.762969 0.144962 0.131368 O\n0.731092 0.473250 0.793508 O\n0.951319 0.867422 0.465274 O\n0.780348 0.093777 0.320634 O\n0.713980 0.448938 0.983785 O\n0.859722 0.777792 0.651234 O\n0.268088 0.228355 0.205616 O\n0.540637 0.737707 0.675561 O\n0.285042 0.919968 0.525944 O\n0.368082 0.584301 0.856675 O\n0.053903 0.570396 0.899339 O\n0.946097 0.429604 0.100661 O\n0.631918 0.415699 0.143325 O\n0.714958 0.080032 0.474056 O\n0.459363 0.262293 0.324439 O\n0.731912 0.771645 0.794384 O\n0.140278 0.222208 0.348766 O\n0.286020 0.551062 0.016215 O\n0.219652 0.906223 0.679366 O\n0.048681 0.132578 0.534726 O\n0.268908 0.526750 0.206492 O\n0.237031 0.855038 0.868632 O\n0.364642 0.195922 0.546870 O\n0.864642 0.804078 0.953130 O\n0.737031 0.144962 0.631368 O\n0.768908 0.473250 0.293508 O\n0.548681 0.867422 0.965274 O\n0.719652 0.093777 0.820634 O\n0.786020 0.448938 0.483785 O\n0.231912 0.228355 0.705616 O\n0.640278 0.777792 0.151234 O\n0.959363 0.737707 0.175561 O\n0.214958 0.919968 0.025944 O\n0.131918 0.584301 0.356675 O\n0.446097 0.570396 0.399339 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.8565613998110715,
"density_atomic": 0.07775489359486713,
"volume": 1080.317856747027,
"volume_molar": 7.745031189133467,
"formula_full": "Li12 Fe12 Si12 O48",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy": -636.61162901,
"energy_per_atom": -7.578709869166667,
"energy_above_hull": null,
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"band_gap": 3.0214,
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"updated_at": "2021-11-28T01:36:33.256000Z",
"spacegroup": 14
},
{
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