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{
"count": 146323,
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"results": [
{
"id": "mp-772311",
"created_at": "2022-09-04T14:44:28.799106Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n6.769279 0.000000 0.000000\n0.000000 8.965753 0.000000\n0.000000 0.013241 10.348246\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.497929 0.082259 0.880031 Na\n0.502071 0.082259 0.380031 Na\n0.251835 0.258646 0.623763 Na\n0.748082 0.258774 0.623825 Na\n0.251918 0.258774 0.123825 Na\n0.748165 0.258646 0.123763 Na\n0.751860 0.741679 0.876556 Na\n0.248140 0.741679 0.376556 Na\n0.000187 0.915885 0.619958 Na\n0.999813 0.915885 0.119958 Na\n0.243010 0.733006 0.878806 Li\n0.756990 0.733006 0.378806 Li\n0.999654 0.362597 0.889185 Mn\n0.000346 0.362597 0.389185 Mn\n0.501179 0.639948 0.610515 Mn\n0.498821 0.639948 0.110515 Mn\n0.496385 0.413627 0.850210 P\n0.503615 0.413627 0.350210 P\n0.002825 0.591006 0.648799 P\n0.997175 0.591006 0.148799 P\n0.004984 0.056152 0.868158 C\n0.995016 0.056152 0.368158 C\n0.499416 0.939830 0.632735 C\n0.500584 0.939830 0.132735 C\n0.499907 0.083594 0.643230 O\n0.500093 0.083594 0.143230 O\n0.999325 0.120124 0.981314 O\n0.000675 0.120124 0.481314 O\n0.999158 0.140229 0.765094 O\n0.000842 0.140229 0.265094 O\n0.315054 0.318290 0.892053 O\n0.682588 0.324836 0.893983 O\n0.317412 0.324836 0.393983 O\n0.684946 0.318290 0.392053 O\n0.499495 0.427770 0.699734 O\n0.000284 0.431168 0.591283 O\n0.500505 0.427770 0.199734 O\n0.999716 0.431168 0.091283 O\n0.487271 0.573828 0.907753 O\n0.008153 0.577998 0.800151 O\n0.512729 0.573828 0.407753 O\n0.991847 0.577998 0.300151 O\n0.818143 0.682002 0.605681 O\n0.185647 0.681855 0.604142 O\n0.814353 0.681855 0.104142 O\n0.181857 0.682002 0.105681 O\n0.497087 0.855482 0.735771 O\n0.502913 0.855482 0.235771 O\n0.501585 0.877363 0.518913 O\n0.498415 0.877363 0.018913 O\n0.015619 0.912054 0.858356 O\n0.984381 0.912054 0.358356 O\n",
"nsites": 52,
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"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.86459489419576,
"density_atomic": 0.08279562998042352,
"volume": 628.0524710337377,
"volume_molar": 7.27350074082883,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -373.8615821,
"energy_per_atom": -7.189645809615385,
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"energy_uncorrected": -347.9535821,
"band_gap": 3.2839,
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"is_magnetic": true,
"total_magnetization": 20.0049465,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.291000Z",
"spacegroup": 7
},
{
"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,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.006453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.962000Z",
"spacegroup": 1
},
{
"id": "mp-772519",
"created_at": "2022-09-04T14:44:07.473485Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.664613 0.000000 0.000000\n-0.116647 8.720462 0.000000\n-0.042878 -0.144867 10.071871\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.248118 0.916933 0.878715 Na\n0.245329 0.916852 0.379749 Na\n0.501040 0.745829 0.123493 Na\n0.500350 0.254204 0.376872 Na\n0.013208 0.735599 0.618027 Li\n0.487973 0.736197 0.619223 Li\n0.011218 0.734553 0.118915 Li\n0.511431 0.263068 0.880857 Li\n0.987348 0.263389 0.881900 Li\n0.989267 0.264534 0.381242 Li\n0.752905 0.082603 0.623885 Li\n0.758394 0.085328 0.120712 Li\n0.752734 0.640953 0.885810 Mn\n0.749587 0.639838 0.391363 Mn\n0.247166 0.357369 0.614316 Mn\n0.249808 0.358906 0.109004 Mn\n0.249876 0.588898 0.848231 P\n0.241172 0.588947 0.353093 P\n0.750034 0.405574 0.652104 P\n0.758097 0.405312 0.147278 P\n0.751047 0.955939 0.866012 C\n0.759059 0.952659 0.367146 C\n0.248800 0.051584 0.633621 C\n0.240633 0.054708 0.132110 C\n0.250920 0.902040 0.641331 O\n0.228390 0.905885 0.141158 O\n0.752317 0.903229 0.986685 O\n0.750104 0.901177 0.487991 O\n0.752062 0.860504 0.764914 O\n0.753912 0.856169 0.266650 O\n0.067188 0.679352 0.901547 O\n0.438625 0.679508 0.896778 O\n0.062866 0.685075 0.405833 O\n0.434008 0.677558 0.400261 O\n0.246014 0.587417 0.692560 O\n0.750903 0.575466 0.603083 O\n0.234424 0.582854 0.197700 O\n0.765951 0.572334 0.094916 O\n0.249276 0.419620 0.895431 O\n0.754152 0.412406 0.807625 O\n0.233806 0.422427 0.403493 O\n0.765519 0.416776 0.302353 O\n0.562692 0.313296 0.604639 O\n0.930708 0.312299 0.599890 O\n0.566606 0.315163 0.101039 O\n0.933891 0.305780 0.095815 O\n0.248164 0.137245 0.740157 O\n0.244994 0.140625 0.238540 O\n0.247075 0.116960 0.518757 O\n0.249847 0.118945 0.017058 O\n0.749043 0.102252 0.845328 O\n0.771945 0.097858 0.344788 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.800349236919415,
"density_atomic": 0.08883390614603254,
"volume": 585.3620791425977,
"volume_molar": 6.779101608005738,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -378.26335117,
"energy_per_atom": -7.274295214807693,
"energy_above_hull": null,
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"energy_uncorrected": -352.35535117,
"band_gap": 3.4913,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.243000Z",
"spacegroup": 1
},
{
"id": "mp-772547",
"created_at": "2022-09-04T14:42:17.489734Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n6.816774 0.000000 0.000000\n-0.046558 8.966373 0.000000\n-0.020036 -0.039588 10.331538\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.252349 0.083072 0.121288 Na\n0.251906 0.083725 0.618881 Na\n0.001290 0.257606 0.375996 Na\n0.001767 0.259582 0.876296 Na\n0.498342 0.259131 0.876407 Na\n0.501801 0.741846 0.124893 Na\n0.998316 0.741451 0.124710 Na\n0.501908 0.741146 0.622961 Na\n0.998224 0.741042 0.622609 Na\n0.750298 0.916767 0.879401 Na\n0.490737 0.266650 0.379556 Li\n0.745920 0.917855 0.377841 Li\n0.749022 0.360626 0.113187 Mn\n0.747685 0.360353 0.608834 Mn\n0.249684 0.639907 0.387938 Mn\n0.250132 0.637875 0.889600 Mn\n0.253100 0.409272 0.150486 P\n0.249784 0.410503 0.646258 P\n0.746304 0.591459 0.350545 P\n0.750023 0.588458 0.851285 P\n0.748324 0.059384 0.137880 C\n0.749172 0.055366 0.627550 C\n0.256100 0.943941 0.368403 C\n0.250067 0.939852 0.867847 C\n0.267644 0.088542 0.358806 O\n0.249116 0.083957 0.857170 O\n0.749624 0.117596 0.022404 O\n0.748422 0.108895 0.510608 O\n0.744859 0.146537 0.238892 O\n0.748153 0.145852 0.727321 O\n0.067099 0.318082 0.111230 O\n0.433505 0.318101 0.104850 O\n0.064769 0.318709 0.606211 O\n0.431207 0.318323 0.601826 O\n0.262016 0.424195 0.301844 O\n0.736567 0.431535 0.409566 O\n0.252890 0.427411 0.797071 O\n0.750415 0.430715 0.912425 O\n0.250167 0.568108 0.091228 O\n0.748716 0.572920 0.200180 O\n0.249845 0.568942 0.586808 O\n0.749403 0.570208 0.700707 O\n0.567978 0.689438 0.390635 O\n0.931663 0.681438 0.393179 O\n0.567356 0.680712 0.892444 O\n0.933646 0.681258 0.892495 O\n0.249666 0.860229 0.264864 O\n0.250441 0.855438 0.764872 O\n0.250141 0.880177 0.481195 O\n0.250744 0.877660 0.981500 O\n0.750822 0.915633 0.153502 O\n0.750864 0.912519 0.645519 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8490394799135097,
"density_atomic": 0.08234603051778572,
"volume": 631.4815622930197,
"volume_molar": 7.313213183602448,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -373.83686386,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:37.926000Z",
"spacegroup": 1
},
{
"id": "mp-772484",
"created_at": "2022-09-04T14:43:09.265103Z",
"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.723744 0.000000 0.000000\n-0.097612 8.766856 0.000000\n-0.045857 -0.132268 10.165846\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.248531 0.916903 0.878927 Na\n0.246204 0.916752 0.378908 Na\n0.999490 0.746259 0.624957 Na\n0.500553 0.745602 0.124231 Na\n0.501424 0.254531 0.876355 Na\n0.501622 0.254829 0.376121 Na\n0.483341 0.732249 0.618241 Li\n0.016792 0.731909 0.119129 Li\n0.983725 0.267132 0.883040 Li\n0.983571 0.267701 0.383917 Li\n0.753081 0.085647 0.624198 Li\n0.765690 0.085127 0.124175 Li\n0.751001 0.640243 0.888817 Mn\n0.747505 0.640090 0.388811 Mn\n0.244797 0.357210 0.611491 Mn\n0.246466 0.357474 0.111297 Mn\n0.248869 0.587760 0.851292 P\n0.240649 0.587939 0.351505 P\n0.748843 0.405978 0.648746 P\n0.757950 0.406553 0.148672 P\n0.756872 0.953128 0.866007 C\n0.758684 0.953262 0.366319 C\n0.255551 0.054291 0.632828 C\n0.240118 0.054030 0.132651 C\n0.275341 0.907333 0.642050 O\n0.226749 0.906311 0.141693 O\n0.750362 0.905985 0.987368 O\n0.752140 0.905857 0.487580 O\n0.747101 0.854152 0.769032 O\n0.749754 0.854493 0.269241 O\n0.067140 0.684768 0.894993 O\n0.436545 0.675014 0.902530 O\n0.061703 0.683764 0.399685 O\n0.431149 0.676649 0.398544 O\n0.259158 0.579586 0.697389 O\n0.734211 0.571057 0.594495 O\n0.235883 0.579836 0.197539 O\n0.767890 0.572156 0.094642 O\n0.233795 0.422825 0.903560 O\n0.768687 0.419631 0.801835 O\n0.234507 0.422783 0.403852 O\n0.770473 0.419275 0.302152 O\n0.563140 0.306904 0.611724 O\n0.928137 0.315418 0.593092 O\n0.564481 0.319102 0.108412 O\n0.929683 0.305390 0.095821 O\n0.242145 0.139661 0.737683 O\n0.244724 0.139917 0.237753 O\n0.248003 0.118058 0.518148 O\n0.249948 0.117946 0.018303 O\n0.772728 0.096624 0.839883 O\n0.773098 0.096904 0.340368 O\n",
"nsites": 52,
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"elements": [
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"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8244545488882045,
"density_atomic": 0.08677702847209601,
"volume": 599.2369284311354,
"volume_molar": 6.939786791542968,
"formula_full": "Na6 Li6 Mn4 P4 C4 O28",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -376.92473209,
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"energy_uncorrected": -351.01673209,
"band_gap": 3.2924,
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"updated_at": "2021-11-28T01:36:05.854000Z",
"spacegroup": 1
},
{
"id": "mp-772567",
"created_at": "2022-09-04T14:43:21.352641Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.823354 0.000000 0.000000\n-0.052018 8.858879 0.000000\n-0.002448 -0.185706 10.220159\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.250752 0.916161 0.378394 Na\n0.000272 0.744299 0.626009 Na\n0.499337 0.743959 0.625921 Na\n0.000392 0.741856 0.123733 Na\n0.500160 0.741826 0.122991 Na\n0.500646 0.254516 0.874460 Na\n0.502131 0.256886 0.376363 Na\n0.998640 0.255841 0.375606 Na\n0.240961 0.919441 0.875337 Li\n0.979470 0.267666 0.882484 Li\n0.758135 0.090317 0.628144 Li\n0.754195 0.092206 0.122425 Li\n0.749816 0.641232 0.885918 Mn\n0.750561 0.636347 0.389218 Mn\n0.247712 0.356965 0.614778 Mn\n0.246353 0.355823 0.107856 Mn\n0.245610 0.593281 0.851616 P\n0.250362 0.588250 0.353298 P\n0.753578 0.402259 0.649794 P\n0.748956 0.403719 0.142985 P\n0.759037 0.955078 0.867582 C\n0.750313 0.947559 0.365161 C\n0.248182 0.058335 0.641023 C\n0.249375 0.051261 0.127955 C\n0.250981 0.914096 0.661062 O\n0.251490 0.908304 0.149281 O\n0.751874 0.913970 0.988655 O\n0.751459 0.910571 0.487824 O\n0.748776 0.853760 0.773275 O\n0.751325 0.843061 0.273691 O\n0.068237 0.694244 0.891895 O\n0.432742 0.681974 0.895080 O\n0.067577 0.681241 0.395838 O\n0.434252 0.682115 0.395056 O\n0.247962 0.573481 0.699591 O\n0.749182 0.562630 0.590005 O\n0.249137 0.568821 0.200980 O\n0.750348 0.563818 0.083290 O\n0.233001 0.432143 0.910174 O\n0.767365 0.422778 0.802195 O\n0.251242 0.428872 0.413639 O\n0.754306 0.424631 0.294904 O\n0.568027 0.307307 0.614074 O\n0.930162 0.306669 0.601595 O\n0.564841 0.309131 0.103708 O\n0.927218 0.306508 0.096875 O\n0.243535 0.151049 0.740901 O\n0.246118 0.146911 0.227055 O\n0.249881 0.111804 0.523617 O\n0.250014 0.100954 0.009265 O\n0.775672 0.096405 0.836708 O\n0.748333 0.087666 0.330719 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"C",
"O"
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