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"results": [
{
"id": "mp-772414",
"created_at": "2022-09-04T14:43:11.301751Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.784662 0.000000 0.000000\n-0.120072 8.862248 0.000000\n-0.033357 -0.143716 10.247530\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.241299 0.916706 0.879230 Na\n0.244277 0.917046 0.378355 Na\n0.998812 0.744562 0.623958 Na\n0.499887 0.743186 0.622832 Na\n0.501054 0.744848 0.125917 Na\n0.501102 0.254797 0.875100 Na\n0.502002 0.255638 0.377271 Na\n0.998744 0.254017 0.376381 Na\n0.026298 0.725044 0.115960 Li\n0.977394 0.271655 0.883370 Li\n0.760158 0.091885 0.628049 Li\n0.764997 0.088632 0.125437 Li\n0.751892 0.640112 0.889931 Mn\n0.752123 0.636951 0.387197 Mn\n0.247379 0.358048 0.613018 Mn\n0.246467 0.356161 0.110125 Mn\n0.244766 0.585613 0.854813 P\n0.246118 0.590715 0.351117 P\n0.753172 0.403547 0.649797 P\n0.753335 0.408707 0.145587 P\n0.759029 0.956043 0.867362 C\n0.751246 0.948212 0.363490 C\n0.249162 0.058226 0.634193 C\n0.240112 0.051901 0.131761 C\n0.253315 0.913342 0.645028 O\n0.225864 0.906523 0.140589 O\n0.747915 0.916686 0.989113 O\n0.752696 0.913535 0.487139 O\n0.752435 0.852084 0.775127 O\n0.755117 0.842690 0.273819 O\n0.068591 0.683453 0.902225 O\n0.435427 0.670984 0.899965 O\n0.067412 0.681696 0.401507 O\n0.434764 0.684086 0.387628 O\n0.243704 0.574015 0.702512 O\n0.747435 0.563625 0.589507 O\n0.230811 0.575445 0.198374 O\n0.769356 0.571536 0.090208 O\n0.230312 0.422397 0.908197 O\n0.769121 0.423297 0.801824 O\n0.252665 0.430048 0.409030 O\n0.756156 0.423868 0.297491 O\n0.566038 0.307970 0.614637 O\n0.929410 0.308198 0.600973 O\n0.562695 0.323099 0.102086 O\n0.926360 0.306253 0.099501 O\n0.246224 0.145165 0.737418 O\n0.245339 0.137534 0.236548 O\n0.247411 0.119728 0.519100 O\n0.249931 0.116595 0.018634 O\n0.776248 0.096322 0.834440 O\n0.746422 0.087573 0.327125 O\n",
"nsites": 52,
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"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8333963203120023,
"density_atomic": 0.08439408897541516,
"volume": 616.1568971394207,
"volume_molar": 7.135737624650832,
"formula_full": "Na8 Li4 Mn4 P4 C4 O28",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -375.50562012,
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"updated_at": "2021-11-28T01:35:58.105000Z",
"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": [
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"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,
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"energy_uncorrected": -353.72380803,
"band_gap": 3.5988,
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"updated_at": "2021-11-28T01:34:37.103000Z",
"spacegroup": 2
},
{
"id": "mp-772411",
"created_at": "2022-09-04T14:47:07.806296Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.777434 0.000000 0.000000\n0.014372 8.869193 0.000000\n0.008618 0.156218 10.230653\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.750579 0.084059 0.879450 Na\n0.744006 0.082257 0.378345 Na\n0.000579 0.256527 0.623457 Na\n0.499333 0.256029 0.623617 Na\n0.999864 0.255147 0.125948 Na\n0.498188 0.745141 0.874831 Na\n0.498276 0.744245 0.377130 Na\n0.000740 0.744693 0.376623 Na\n0.523193 0.273643 0.116058 Li\n0.020585 0.728776 0.884111 Li\n0.242382 0.909638 0.627049 Li\n0.254266 0.911811 0.124641 Li\n0.254450 0.359616 0.889732 Mn\n0.250922 0.362148 0.387226 Mn\n0.751289 0.641895 0.612794 Mn\n0.754100 0.643567 0.110137 Mn\n0.756893 0.413662 0.854260 P\n0.745442 0.408673 0.350300 P\n0.245655 0.597405 0.650384 P\n0.255783 0.592264 0.145981 P\n0.241070 0.044556 0.868151 C\n0.250997 0.052008 0.363951 C\n0.751053 0.941670 0.634096 C\n0.741343 0.947220 0.131117 C\n0.751240 0.086327 0.644809 O\n0.723496 0.092505 0.140175 O\n0.247294 0.085898 0.989069 O\n0.249605 0.089425 0.486879 O\n0.256041 0.145915 0.773990 O\n0.253308 0.155668 0.272217 O\n0.938843 0.316785 0.895352 O\n0.571459 0.326609 0.905335 O\n0.933340 0.316483 0.387796 O\n0.565248 0.316564 0.400230 O\n0.748478 0.425757 0.701869 O\n0.249448 0.437690 0.589622 O\n0.733238 0.423694 0.197433 O\n0.267420 0.429979 0.090023 O\n0.768080 0.576417 0.907896 O\n0.233005 0.577386 0.802564 O\n0.749416 0.569155 0.408413 O\n0.247768 0.575855 0.297936 O\n0.431787 0.692410 0.614623 O\n0.067751 0.693559 0.601994 O\n0.435779 0.691968 0.106571 O\n0.071646 0.682033 0.096393 O\n0.753044 0.854531 0.737922 O\n0.753570 0.862342 0.236687 O\n0.748595 0.880080 0.519225 O\n0.748631 0.882940 0.018455 O\n0.221411 0.903644 0.836997 O\n0.250071 0.911733 0.330133 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"Li",
"Mn",
"P",
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],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.838872465497548,
"density_atomic": 0.08455719862609062,
"volume": 614.9683391232298,
"volume_molar": 7.121972886814432,
"formula_full": "Na8 Li4 Mn4 P4 C4 O28",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -375.44056416,
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"updated_at": "2021-11-28T01:37:55.501000Z",
"spacegroup": 1
},
{
"id": "mp-772500",
"created_at": "2022-09-04T14:39:07.740044Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.849405 0.000000 0.000000\n-0.052055 8.847814 0.000000\n-0.025667 -0.131013 10.230288\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.246501 0.917058 0.879039 Na\n0.999686 0.743130 0.622914 Na\n0.500033 0.742605 0.622610 Na\n0.999744 0.742877 0.126281 Na\n0.500409 0.742847 0.125769 Na\n0.501682 0.255724 0.874814 Na\n0.499722 0.257053 0.376714 Na\n0.000834 0.256215 0.376081 Na\n0.249818 0.915580 0.377047 Li\n0.980371 0.270817 0.883114 Li\n0.756485 0.088662 0.625070 Li\n0.753439 0.090384 0.124421 Li\n0.748789 0.638233 0.886521 Mn\n0.750491 0.638961 0.388090 Mn\n0.248067 0.356786 0.613364 Mn\n0.246919 0.357452 0.109944 Mn\n0.244374 0.585791 0.851708 P\n0.250286 0.595308 0.352458 P\n0.753858 0.401776 0.648446 P\n0.749237 0.404581 0.145135 P\n0.758357 0.953708 0.868147 C\n0.750221 0.947881 0.366051 C\n0.249189 0.052446 0.628760 C\n0.249358 0.058104 0.138139 C\n0.251245 0.909467 0.649220 O\n0.251218 0.914025 0.155868 O\n0.750712 0.909563 0.989191 O\n0.751211 0.905988 0.488065 O\n0.748345 0.853207 0.773213 O\n0.751035 0.845940 0.272507 O\n0.065500 0.682570 0.893252 O\n0.431162 0.673332 0.896489 O\n0.069532 0.691731 0.391751 O\n0.432508 0.692131 0.391495 O\n0.248029 0.570488 0.699622 O\n0.749663 0.562455 0.587725 O\n0.249124 0.570101 0.200791 O\n0.749840 0.564356 0.083961 O\n0.232519 0.423167 0.908309 O\n0.766057 0.422337 0.800815 O\n0.250866 0.437368 0.416542 O\n0.754226 0.427554 0.296842 O\n0.569036 0.307098 0.612259 O\n0.930745 0.306558 0.602362 O\n0.566006 0.309317 0.106777 O\n0.927144 0.307654 0.100451 O\n0.247093 0.147499 0.727845 O\n0.246893 0.149452 0.238836 O\n0.249288 0.103383 0.509597 O\n0.249644 0.115378 0.021239 O\n0.774841 0.095249 0.839356 O\n0.748646 0.088653 0.334985 O\n",
"nsites": 52,
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"elements": [
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"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8159306121578678,
"density_atomic": 0.08387386435402637,
"volume": 619.9785880916519,
"volume_molar": 7.179996780142284,
"formula_full": "Na8 Li4 Mn4 P4 C4 O28",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -375.40261456,
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"updated_at": "2021-11-28T01:34:34.984000Z",
"spacegroup": 1
},
{
"id": "mp-772234",
"created_at": "2022-09-04T14:46:12.470145Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.702044 0.000000 0.000000\n-0.079417 8.685289 0.000000\n-0.023530 -0.238941 10.062657\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.259134 0.083907 0.122222 Na\n0.999300 0.252059 0.376699 Na\n0.998812 0.251676 0.873483 Na\n0.499508 0.748659 0.624559 Na\n0.253033 0.081337 0.623764 Li\n0.478100 0.268634 0.387630 Li\n0.481005 0.268567 0.881836 Li\n0.520240 0.733734 0.117645 Li\n0.978497 0.732679 0.114886 Li\n0.984662 0.736270 0.616312 Li\n0.745601 0.914362 0.374109 Li\n0.748760 0.912874 0.875300 Li\n0.746178 0.357666 0.112922 Mn\n0.744768 0.357325 0.611689 Mn\n0.245881 0.646491 0.386888 Mn\n0.248536 0.644353 0.889846 Mn\n0.254549 0.414627 0.148703 P\n0.248786 0.404749 0.647840 P\n0.744860 0.596918 0.351337 P\n0.749854 0.594084 0.854255 P\n0.748452 0.041161 0.132883 C\n0.756136 0.045226 0.635040 C\n0.258264 0.955107 0.370184 C\n0.256779 0.948183 0.860490 C\n0.277398 0.101151 0.352323 O\n0.274869 0.095301 0.844507 O\n0.751562 0.087990 0.011170 O\n0.750417 0.088622 0.512401 O\n0.743985 0.141266 0.231141 O\n0.737833 0.146177 0.731857 O\n0.063122 0.323343 0.106946 O\n0.432034 0.321976 0.089581 O\n0.062670 0.303410 0.612179 O\n0.429356 0.313754 0.590777 O\n0.270391 0.420556 0.303624 O\n0.734282 0.429374 0.402948 O\n0.269859 0.419887 0.802616 O\n0.733672 0.427262 0.905586 O\n0.253307 0.584186 0.100930 O\n0.752069 0.585689 0.195535 O\n0.233573 0.570020 0.593264 O\n0.765286 0.581880 0.699380 O\n0.563940 0.696463 0.394483 O\n0.930238 0.687683 0.404985 O\n0.568290 0.695603 0.895711 O\n0.933397 0.683882 0.911956 O\n0.244810 0.859832 0.268298 O\n0.241801 0.856553 0.756435 O\n0.251131 0.902184 0.490228 O\n0.252744 0.889031 0.977678 O\n0.749402 0.894983 0.158790 O\n0.778868 0.901289 0.664143 O\n",
"nsites": 52,
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"elements": [
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],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.798546728319229,
"density_atomic": 0.08877672617801093,
"volume": 585.7391034642575,
"volume_molar": 6.783467941726851,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
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"energy": -378.56618428,
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"updated_at": "2021-11-28T01:37:24.282000Z",
"spacegroup": 1
},
{
"id": "mp-772236",
"created_at": "2022-09-04T14:43:18.070505Z",
"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.766357 0.000000 0.000000\n-0.165824 8.749525 0.000000\n-0.053936 -0.189604 10.148007\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.244260 0.916403 0.378872 Na\n0.499680 0.746037 0.626233 Na\n0.998769 0.744559 0.123310 Na\n0.500978 0.742899 0.121543 Na\n0.500836 0.253716 0.876145 Na\n0.501155 0.255250 0.375743 Na\n0.236063 0.920377 0.875374 Li\n0.019897 0.730287 0.620598 Li\n0.982390 0.266288 0.883530 Li\n0.980223 0.270423 0.383775 Li\n0.767395 0.085723 0.626019 Li\n0.760214 0.089106 0.122912 Li\n0.751481 0.641751 0.885172 Mn\n0.752220 0.639820 0.390901 Mn\n0.245814 0.355204 0.613139 Mn\n0.244725 0.355681 0.108708 Mn\n0.241476 0.594752 0.849008 P\n0.244792 0.584938 0.353629 P\n0.758030 0.405712 0.648651 P\n0.753082 0.401827 0.146063 P\n0.759969 0.955018 0.865525 C\n0.759171 0.954984 0.367210 C\n0.239393 0.051512 0.639033 C\n0.248401 0.051222 0.129887 C\n0.227129 0.904119 0.654072 O\n0.255230 0.907090 0.149818 O\n0.753054 0.910152 0.987217 O\n0.750768 0.909755 0.488759 O\n0.753025 0.854442 0.769018 O\n0.752669 0.853484 0.271063 O\n0.068271 0.695827 0.896704 O\n0.434258 0.683729 0.889434 O\n0.068024 0.683312 0.401275 O\n0.436002 0.672893 0.399292 O\n0.230582 0.578965 0.695120 O\n0.767875 0.571800 0.595086 O\n0.243367 0.572719 0.200088 O\n0.749065 0.564453 0.087843 O\n0.233379 0.430370 0.905232 O\n0.772504 0.419521 0.802351 O\n0.232283 0.420279 0.407661 O\n0.771281 0.420170 0.299543 O\n0.564172 0.318643 0.608846 O\n0.927893 0.304486 0.595381 O\n0.563706 0.306234 0.110099 O\n0.927377 0.305089 0.092745 O\n0.242792 0.141225 0.742698 O\n0.242480 0.147214 0.229765 O\n0.248910 0.111034 0.523250 O\n0.246827 0.102495 0.009792 O\n0.773149 0.098708 0.837651 O\n0.773508 0.098304 0.339215 O\n",
"nsites": 52,
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"elements": [
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"P",
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"band_gap": 3.3259,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0047944,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.830000Z",
"spacegroup": 4
}
]
}