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{
"count": 146323,
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"results": [
{
"id": "mp-773725",
"created_at": "2022-09-04T14:47:27.958256Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.637303 0.000000 0.000000\n0.055670 8.642310 0.000000\n0.010902 0.319673 10.036434\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.749216 0.913671 0.123493 Na\n0.500263 0.248519 0.624017 Na\n0.763331 0.918349 0.627659 Li\n0.972119 0.733262 0.389130 Li\n0.528638 0.733776 0.390124 Li\n0.976280 0.731530 0.883389 Li\n0.522964 0.733637 0.882614 Li\n0.472432 0.268401 0.114700 Li\n0.029351 0.269737 0.113774 Li\n0.020836 0.266934 0.614447 Li\n0.243226 0.083807 0.370356 Li\n0.237338 0.086598 0.872635 Li\n0.248920 0.647786 0.113281 Mn\n0.250338 0.646193 0.610944 Mn\n0.755274 0.351257 0.383301 Mn\n0.751845 0.354311 0.888670 Mn\n0.749096 0.584747 0.144227 P\n0.754903 0.594538 0.643551 P\n0.250918 0.408044 0.351583 P\n0.245809 0.411700 0.854542 P\n0.249502 0.962163 0.135795 C\n0.240758 0.957111 0.638940 C\n0.750834 0.038449 0.371365 C\n0.752721 0.047098 0.860756 C\n0.749114 0.889834 0.353863 O\n0.750800 0.897445 0.845874 O\n0.247044 0.920012 0.012879 O\n0.248176 0.920205 0.515022 O\n0.248552 0.857904 0.232629 O\n0.254551 0.849935 0.733545 O\n0.933523 0.675254 0.088037 O\n0.563868 0.676573 0.088825 O\n0.933697 0.697554 0.594712 O\n0.565792 0.682869 0.590145 O\n0.750653 0.584670 0.300258 O\n0.246352 0.577825 0.400244 O\n0.750690 0.585308 0.799884 O\n0.249837 0.581083 0.902522 O\n0.747750 0.412499 0.103118 O\n0.244487 0.417204 0.195401 O\n0.769461 0.426811 0.593813 O\n0.230868 0.420171 0.699362 O\n0.440082 0.315681 0.397361 O\n0.071478 0.309358 0.405607 O\n0.434579 0.315697 0.899306 O\n0.067259 0.315832 0.913298 O\n0.755672 0.134013 0.268902 O\n0.758333 0.138672 0.755606 O\n0.748485 0.091273 0.490905 O\n0.749490 0.106918 0.976992 O\n0.252627 0.107721 0.165369 O\n0.219869 0.100061 0.673224 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7547366953867116,
"density_atomic": 0.09032384693372213,
"volume": 575.7062145299965,
"volume_molar": 6.667276654435377,
"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -380.19521608,
"energy_per_atom": -7.311446463076924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -354.28721608,
"band_gap": 3.2926,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0040448,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.848000Z",
"spacegroup": 1
},
{
"id": "mp-772419",
"created_at": "2022-09-04T14:48:17.724899Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.632986 0.000000 0.000000\n-0.065817 8.653266 0.000000\n-0.002328 -0.272447 9.983782\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.255121 0.085005 0.621634 Na\n0.997612 0.250806 0.876931 Na\n0.254684 0.077594 0.125310 Li\n0.018606 0.263651 0.379528 Li\n0.479779 0.265244 0.382125 Li\n0.481030 0.266677 0.886763 Li\n0.517187 0.739156 0.116955 Li\n0.982910 0.739500 0.115927 Li\n0.518965 0.734352 0.615386 Li\n0.981355 0.734901 0.615535 Li\n0.749312 0.916581 0.373477 Li\n0.741898 0.913893 0.876382 Li\n0.746370 0.356224 0.115704 Mn\n0.749068 0.358136 0.609615 Mn\n0.250531 0.645821 0.385475 Mn\n0.249369 0.645549 0.890218 Mn\n0.249759 0.405498 0.150698 P\n0.254580 0.415353 0.645546 P\n0.750440 0.593441 0.351817 P\n0.745180 0.595958 0.854610 P\n0.749196 0.041900 0.135206 C\n0.748368 0.041918 0.632832 C\n0.250211 0.951695 0.360357 C\n0.258937 0.953719 0.869957 C\n0.248481 0.101562 0.347474 O\n0.278499 0.100885 0.852413 O\n0.750151 0.088458 0.012746 O\n0.749491 0.088935 0.510856 O\n0.746300 0.141134 0.235020 O\n0.745248 0.142345 0.732324 O\n0.061049 0.312353 0.104409 O\n0.431224 0.309486 0.097281 O\n0.064582 0.322101 0.598391 O\n0.435482 0.323172 0.586561 O\n0.254842 0.413535 0.307648 O\n0.750857 0.422456 0.397488 O\n0.266901 0.418830 0.801773 O\n0.732210 0.427523 0.903995 O\n0.252229 0.575102 0.101911 O\n0.749732 0.587530 0.195067 O\n0.251058 0.585516 0.599915 O\n0.748738 0.587061 0.697634 O\n0.566976 0.687302 0.404675 O\n0.935142 0.687683 0.405028 O\n0.565900 0.697338 0.904290 O\n0.933908 0.685297 0.907957 O\n0.250598 0.862295 0.253469 O\n0.247835 0.858381 0.767186 O\n0.251785 0.890340 0.476762 O\n0.249455 0.901241 0.990589 O\n0.750654 0.894572 0.160385 O\n0.750208 0.894999 0.658767 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7675583593416024,
"density_atomic": 0.09074425082003061,
"volume": 573.0390579027369,
"volume_molar": 6.636388207053984,
"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -380.04710994,
"energy_per_atom": -7.308598268076922,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -354.13910994,
"band_gap": 3.5457,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0042283,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:54.201000Z",
"spacegroup": 1
},
{
"id": "mp-772518",
"created_at": "2022-09-04T14:48:09.765536Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n5.160020 0.000000 0.000000\n-0.031334 8.960553 0.000000\n-0.028433 -0.056026 13.624788\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.239791 0.083059 0.875038 Na\n0.239796 0.082050 0.375753 Na\n0.751835 0.258592 0.999337 Na\n0.752323 0.258922 0.750813 Na\n0.751986 0.258754 0.498814 Na\n0.752256 0.258524 0.250979 Na\n0.247328 0.741074 0.747625 Na\n0.247655 0.741824 0.250173 Na\n0.247724 0.741556 0.001214 Na\n0.760146 0.915850 0.623110 Na\n0.240131 0.733162 0.503489 Li\n0.755761 0.914566 0.125114 Li\n0.221884 0.361913 0.624831 Mn\n0.222475 0.361548 0.125315 Mn\n0.777543 0.639785 0.875142 Mn\n0.778753 0.640821 0.376117 Mn\n0.299016 0.413282 0.376469 P\n0.297814 0.410850 0.875166 P\n0.702785 0.590899 0.623520 P\n0.702529 0.593530 0.125291 P\n0.263625 0.056822 0.622449 C\n0.265240 0.054967 0.125220 C\n0.734784 0.939141 0.376297 C\n0.735546 0.940123 0.874731 C\n0.714455 0.084707 0.874750 O\n0.713232 0.083822 0.374811 O\n0.029312 0.107205 0.125007 O\n0.037331 0.120433 0.624623 O\n0.462678 0.146596 0.125361 O\n0.470542 0.140810 0.625182 O\n0.214667 0.318591 0.966631 O\n0.215174 0.318698 0.783071 O\n0.216643 0.318639 0.466916 O\n0.211068 0.323400 0.283918 O\n0.599411 0.428014 0.875462 O\n0.600923 0.428282 0.374935 O\n0.818112 0.430948 0.625149 O\n0.824658 0.434870 0.124945 O\n0.177290 0.569116 0.875034 O\n0.183363 0.573431 0.380575 O\n0.399437 0.577345 0.618546 O\n0.401545 0.572878 0.125240 O\n0.780816 0.681550 0.716696 O\n0.799770 0.682001 0.533871 O\n0.785131 0.687992 0.216365 O\n0.783471 0.687959 0.034488 O\n0.528918 0.856240 0.874336 O\n0.528321 0.854865 0.377849 O\n0.962637 0.877900 0.874785 O\n0.962380 0.877436 0.376349 O\n0.306738 0.912554 0.125324 O\n0.283256 0.912105 0.617779 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.855901278360262,
"density_atomic": 0.08254435766217486,
"volume": 629.9643182495621,
"volume_molar": 7.295641919762115,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -373.84740127,
"energy_per_atom": -7.1893731013461535,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -347.93940127,
"band_gap": 3.0615,
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"is_magnetic": true,
"total_magnetization": 20.006453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.962000Z",
"spacegroup": 1
},
{
"id": "mp-771003",
"created_at": "2022-09-04T14:47:11.509466Z",
"structure_string": "Na2 Li4 Mn2 P2 C2 O14\n1.0\n8.727476 0.440413 0.223577\n0.341232 6.777962 -0.032508\n0.114944 -0.022460 5.105617\nNa Li Mn P C O\n2 4 2 2 2 14\ndirect\n0.243303 0.515652 0.253067 Na\n0.756641 0.484422 0.746913 Na\n0.090018 0.186347 0.744202 Li\n0.290267 0.057588 0.233534 Li\n0.709713 0.942415 0.766457 Li\n0.909953 0.813646 0.255854 Li\n0.352267 0.768903 0.780045 Mn\n0.648044 0.231268 0.219592 Mn\n0.414420 0.250510 0.720062 P\n0.585541 0.749434 0.279903 P\n0.036973 0.767459 0.724211 C\n0.963021 0.232558 0.275986 C\n0.100981 0.239309 0.357516 O\n0.066116 0.762543 0.970199 O\n0.149361 0.782674 0.549330 O\n0.308067 0.094562 0.831422 O\n0.337138 0.456204 0.806223 O\n0.426570 0.232125 0.414072 O\n0.419391 0.787911 0.181333 O\n0.580589 0.212033 0.818675 O\n0.573488 0.767800 0.585896 O\n0.662854 0.543752 0.193774 O\n0.691870 0.905254 0.168537 O\n0.850623 0.217364 0.450798 O\n0.933843 0.237470 0.029840 O\n0.898949 0.760796 0.642560 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
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"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.722329672016196,
"density_atomic": 0.08635893530497013,
"volume": 301.06901976249407,
"volume_molar": 6.9733846749421575,
"formula_full": "Na2 Li4 Mn2 P2 C2 O14",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -189.77375702,
"energy_per_atom": -7.298990654615385,
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"band_gap": 3.5916,
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"updated_at": "2021-11-28T01:37:56.563000Z",
"spacegroup": 2
},
{
"id": "mp-772618",
"created_at": "2022-09-04T14:39:37.949115Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.699453 0.000000 0.000000\n-0.101907 8.685957 0.000000\n0.000649 -0.267680 10.095223\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.256631 0.084803 0.622863 Na\n0.998708 0.249807 0.372771 Na\n0.997478 0.251652 0.876172 Na\n0.500485 0.749977 0.625287 Na\n0.265054 0.078387 0.127258 Li\n0.473196 0.272096 0.384715 Li\n0.473859 0.272380 0.888598 Li\n0.521206 0.736168 0.118936 Li\n0.976378 0.736725 0.115795 Li\n0.975287 0.728525 0.612491 Li\n0.742832 0.912944 0.369889 Li\n0.749310 0.909994 0.875523 Li\n0.745218 0.354270 0.113877 Mn\n0.742703 0.360139 0.611180 Mn\n0.246038 0.645654 0.383794 Mn\n0.249197 0.648246 0.892835 Mn\n0.254353 0.406891 0.148053 P\n0.246296 0.414933 0.646317 P\n0.744975 0.594641 0.350248 P\n0.750144 0.594239 0.858114 P\n0.748813 0.039093 0.133567 C\n0.758068 0.044776 0.635494 C\n0.259225 0.948123 0.356815 C\n0.260700 0.956442 0.871583 C\n0.276837 0.095766 0.339009 O\n0.277555 0.102859 0.851125 O\n0.753526 0.082653 0.011621 O\n0.752254 0.082506 0.511837 O\n0.743143 0.141503 0.230250 O\n0.736662 0.150570 0.728586 O\n0.062410 0.313985 0.109640 O\n0.429513 0.308816 0.091223 O\n0.059044 0.315093 0.609593 O\n0.427266 0.326827 0.585645 O\n0.271986 0.418963 0.302385 O\n0.734306 0.427292 0.402206 O\n0.270178 0.425438 0.800450 O\n0.731931 0.427044 0.908707 O\n0.255561 0.574544 0.097211 O\n0.753227 0.582311 0.195120 O\n0.229498 0.580705 0.594559 O\n0.765977 0.582292 0.703560 O\n0.564302 0.694238 0.393005 O\n0.929784 0.685855 0.404214 O\n0.569404 0.696288 0.899613 O\n0.934041 0.683828 0.915569 O\n0.243622 0.855308 0.254188 O\n0.250340 0.859385 0.770788 O\n0.256384 0.892122 0.474517 O\n0.253061 0.905612 0.990943 O\n0.748819 0.894066 0.162603 O\n0.783213 0.903231 0.669655 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.790383174141975,
"density_atomic": 0.08851775833355809,
"volume": 587.4527437087866,
"volume_molar": 6.8033136778125325,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -378.68965576,
"energy_per_atom": -7.28249338,
"energy_above_hull": null,
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"energy_uncorrected": -352.78165576,
"band_gap": 3.5574000000000003,
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"total_magnetization": 20.004151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.936000Z",
"spacegroup": 1
},
{
"id": "mp-1667394",
"created_at": "2022-09-04T14:39:24.806710Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n0.094796 -0.028335 5.104584\n17.500166 1.097660 0.376168\n0.426148 6.770046 -0.043360\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.249947 0.119317 0.524741 Na\n0.249787 0.619272 0.524706 Na\n0.750053 0.380732 0.475213 Na\n0.750247 0.880730 0.475124 Na\n0.732336 0.044776 0.178853 Li\n0.732337 0.544768 0.178812 Li\n0.267644 0.455230 0.821139 Li\n0.267762 0.955203 0.821076 Li\n0.226989 0.147045 0.068177 Li\n0.226846 0.646964 0.067964 Li\n0.773117 0.352987 0.931742 Li\n0.773254 0.852975 0.931894 Li\n0.778871 0.676526 0.771906 Mn\n0.221550 0.823567 0.228491 Mn\n0.779079 0.176398 0.772384 Mn\n0.220350 0.323472 0.227878 Mn\n0.719155 0.207836 0.254305 P\n0.719148 0.707792 0.254211 P\n0.280857 0.292188 0.745690 P\n0.280895 0.792196 0.745772 P\n0.732967 0.017302 0.767796 C\n0.732783 0.517300 0.767950 C\n0.267059 0.482682 0.232180 C\n0.267020 0.982724 0.232151 C\n0.349727 0.051004 0.245856 O\n0.349668 0.551055 0.245864 O\n0.650190 0.448997 0.754156 O\n0.650358 0.948957 0.754082 O\n0.978789 0.032402 0.763808 O\n0.978673 0.532417 0.764293 O\n0.021301 0.467586 0.236179 O\n0.021134 0.967589 0.236135 O\n0.557985 0.072258 0.789777 O\n0.557848 0.572305 0.789563 O\n0.441873 0.427695 0.210249 O\n0.441984 0.927724 0.210181 O\n0.826706 0.155148 0.100016 O\n0.826774 0.655140 0.099989 O\n0.173277 0.344827 0.900020 O\n0.173223 0.844815 0.900077 O\n0.810972 0.170039 0.461405 O\n0.810851 0.670003 0.461401 O\n0.189062 0.330020 0.538564 O\n0.189223 0.829996 0.538577 O\n0.412887 0.213218 0.239430 O\n0.412899 0.713125 0.239117 O\n0.587140 0.286806 0.760632 O\n0.587148 0.786895 0.760828 O\n0.183067 0.208817 0.791742 O\n0.183117 0.708843 0.791537 O\n0.817098 0.291166 0.208078 O\n0.816974 0.791169 0.208289 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7224305979892134,
"density_atomic": 0.0863621369229314,
"volume": 602.1157170578608,
"volume_molar": 6.973126157559174,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -379.63180803,
"energy_per_atom": -7.300611692884615,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:37.103000Z",
"spacegroup": 2
},
{
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{
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{
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}