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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=12124",
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"results": [
{
"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,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -353.72380803,
"band_gap": 3.5988,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9989219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.103000Z",
"spacegroup": 2
},
{
"id": "mp-772651",
"created_at": "2022-09-04T14:39:21.051975Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.703279 0.000000 0.000000\n-0.053026 8.688685 0.000000\n-0.009877 -0.207352 10.081179\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.252381 0.916129 0.878087 Na\n0.998590 0.748659 0.624470 Na\n0.501592 0.748316 0.126654 Na\n0.499474 0.252066 0.375912 Na\n0.239839 0.918380 0.376570 Li\n0.481110 0.732740 0.614500 Li\n0.016335 0.732334 0.120959 Li\n0.518753 0.266538 0.882919 Li\n0.980067 0.266736 0.884265 Li\n0.986017 0.264684 0.383661 Li\n0.746725 0.085628 0.625482 Li\n0.763851 0.086961 0.124388 Li\n0.752328 0.641566 0.887365 Mn\n0.747615 0.641745 0.388800 Mn\n0.244894 0.353817 0.612849 Mn\n0.250045 0.356074 0.109821 Mn\n0.254823 0.584879 0.850345 P\n0.240646 0.594506 0.351523 P\n0.744208 0.402741 0.649117 P\n0.759321 0.405914 0.145926 P\n0.749427 0.958792 0.867245 C\n0.760229 0.955092 0.365389 C\n0.257988 0.045964 0.629421 C\n0.238895 0.052317 0.139017 C\n0.281286 0.899630 0.647342 O\n0.223263 0.904263 0.153836 O\n0.750316 0.910861 0.988525 O\n0.751194 0.909683 0.487683 O\n0.749844 0.859130 0.768618 O\n0.750802 0.853825 0.268077 O\n0.068926 0.677614 0.897668 O\n0.438878 0.676215 0.902733 O\n0.062895 0.696063 0.397890 O\n0.430650 0.685737 0.397220 O\n0.261552 0.579077 0.695446 O\n0.732577 0.570215 0.596684 O\n0.236155 0.579923 0.196529 O\n0.768637 0.573076 0.093726 O\n0.250411 0.415785 0.898970 O\n0.753170 0.414623 0.804583 O\n0.232910 0.429381 0.406842 O\n0.767774 0.418504 0.300726 O\n0.561948 0.302874 0.606408 O\n0.928211 0.312965 0.596140 O\n0.568266 0.316460 0.100788 O\n0.933670 0.304783 0.092809 O\n0.244338 0.140017 0.731329 O\n0.244312 0.142622 0.243119 O\n0.246623 0.098380 0.509934 O\n0.250529 0.111820 0.022249 O\n0.748584 0.104794 0.841842 O\n0.777128 0.099102 0.337597 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7917987381973632,
"density_atomic": 0.08856266347709597,
"volume": 587.1548794763632,
"volume_molar": 6.799864100245182,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -378.4774873,
"energy_per_atom": -7.278413217307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -352.5694873,
"band_gap": 3.5422,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0040913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.700000Z",
"spacegroup": 1
},
{
"id": "mp-760044",
"created_at": "2022-09-04T14:39:10.410863Z",
"structure_string": "Na2 Li2 Mn2 P2 C2 O14\n1.0\n0.173352 0.000168 5.305916\n-0.000131 6.374331 0.000209\n-8.900867 0.000184 0.072461\nNa Li Mn P C O\n2 2 2 2 2 14\ndirect\n0.226892 0.470464 0.761387 Na\n0.773139 0.970453 0.238592 Na\n0.232133 0.940648 0.813367 Li\n0.767844 0.440632 0.186607 Li\n0.774193 0.768682 0.644707 Mn\n0.225661 0.268806 0.355298 Mn\n0.703801 0.266831 0.564107 P\n0.296175 0.766866 0.435858 P\n0.721172 0.734587 0.931218 C\n0.278835 0.234579 0.068851 C\n0.263986 0.200466 0.929248 O\n0.929885 0.758249 0.852002 O\n0.514869 0.746660 0.851141 O\n0.785562 0.074277 0.659551 O\n0.788385 0.459134 0.659346 O\n0.180104 0.768892 0.592767 O\n0.407279 0.270898 0.547003 O\n0.592684 0.770925 0.452950 O\n0.819885 0.268904 0.407243 O\n0.211630 0.959211 0.340648 O\n0.214418 0.574349 0.340423 O\n0.485197 0.246637 0.148937 O\n0.070158 0.258280 0.147976 O\n0.736102 0.700554 0.070770 O\n",
"nsites": 24,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.6452964841312254,
"density_atomic": 0.07970185934564668,
"volume": 301.1222096578464,
"volume_molar": 7.55583471884076,
"formula_full": "Na2 Li2 Mn2 P2 C2 O14",
"formula_reduced": "NaLiMnPCO7",
"formula_anonymous": "ABCDEF7",
"energy": -179.42216124,
"energy_per_atom": -7.475923385000001,
"energy_above_hull": null,
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"energy_uncorrected": -166.46816124,
"band_gap": 0.7532,
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"total_magnetization": 8.0005189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.234000Z",
"spacegroup": 4
},
{
"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,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"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,
"energy_per_atom": -7.219281049230769,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -349.49461456,
"band_gap": 3.4684,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.984000Z",
"spacegroup": 1
},
{
"id": "mp-754428",
"created_at": "2022-09-04T14:40:23.647649Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n-0.000809 -0.009269 5.211477\n9.028555 6.859408 0.012642\n-8.928943 6.726354 -0.036584\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.754580 0.159159 0.075586 Na\n0.754596 0.659212 0.575692 Na\n0.251357 0.378795 0.123505 Na\n0.251324 0.878817 0.623574 Na\n0.754064 0.621994 0.881774 Na\n0.754116 0.121940 0.381676 Na\n0.751861 0.868997 0.127932 Na\n0.751822 0.369074 0.627939 Na\n0.242771 0.839100 0.920821 Na\n0.242783 0.339095 0.420792 Na\n0.212468 0.158955 0.872252 Li\n0.212505 0.658974 0.372231 Li\n0.779023 0.055379 0.699210 Mn\n0.223942 0.944167 0.305414 Mn\n0.779197 0.555239 0.199484 Mn\n0.223749 0.444326 0.805254 Mn\n0.708273 0.329094 0.918652 P\n0.708553 0.828892 0.418702 P\n0.300150 0.668939 0.086776 P\n0.300079 0.168959 0.586695 P\n0.734376 0.403508 0.344860 C\n0.734369 0.903574 0.844813 C\n0.261355 0.592489 0.646598 C\n0.261330 0.092492 0.146629 C\n0.279152 0.158989 0.069105 O\n0.279179 0.658994 0.569117 O\n0.961242 0.431427 0.312552 O\n0.961210 0.931463 0.812550 O\n0.532928 0.450701 0.306078 O\n0.532861 0.950709 0.806017 O\n0.821376 0.197206 0.875730 O\n0.821718 0.696932 0.376187 O\n0.774043 0.378029 0.059075 O\n0.774048 0.878057 0.559110 O\n0.408742 0.324178 0.901311 O\n0.409049 0.823935 0.401251 O\n0.182581 0.595191 0.172163 O\n0.182765 0.095168 0.672069 O\n0.820551 0.411800 0.841486 O\n0.820990 0.911481 0.341511 O\n0.599007 0.661730 0.094401 O\n0.598975 0.161813 0.594305 O\n0.214930 0.617387 0.948691 O\n0.214814 0.117358 0.448638 O\n0.216861 0.806165 0.127163 O\n0.216486 0.306132 0.627076 O\n0.467302 0.554767 0.692395 O\n0.467317 0.054844 0.192430 O\n0.037897 0.561613 0.680917 O\n0.037899 0.061614 0.180915 O\n0.708710 0.830585 0.915439 O\n0.708725 0.330564 0.415449 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.830240027702322,
"density_atomic": 0.08180266835084687,
"volume": 635.6760854911851,
"volume_molar": 7.361790124218674,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -374.09503936,
"energy_per_atom": -7.194135372307692,
"energy_above_hull": null,
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"energy_uncorrected": -348.18703936,
"band_gap": 3.0618,
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"is_magnetic": true,
"total_magnetization": 19.9997795,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.322000Z",
"spacegroup": 1
},
{
"id": "mp-772634",
"created_at": "2022-09-04T14:41:46.249814Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.663118 0.000000 0.000000\n0.006602 8.720967 0.000000\n0.003671 0.151934 10.069498\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.746870 0.083738 0.879800 Na\n0.749813 0.082620 0.378722 Na\n0.000726 0.253607 0.623686 Na\n0.499288 0.746469 0.376627 Na\n0.511510 0.265151 0.618304 Li\n0.988324 0.263970 0.119988 Li\n0.512226 0.264445 0.118410 Li\n0.488793 0.736878 0.880287 Li\n0.011830 0.736424 0.881758 Li\n0.010883 0.735652 0.381716 Li\n0.251964 0.915533 0.623349 Li\n0.246184 0.916462 0.121303 Li\n0.250435 0.359112 0.889881 Mn\n0.253611 0.360094 0.387291 Mn\n0.753492 0.641416 0.612886 Mn\n0.750729 0.642289 0.110488 Mn\n0.745971 0.412566 0.852308 P\n0.754950 0.409274 0.349144 P\n0.254488 0.596444 0.651268 P\n0.246141 0.592922 0.147996 P\n0.251649 0.043775 0.868019 C\n0.243905 0.047966 0.364832 C\n0.743898 0.944878 0.634235 C\n0.751797 0.948572 0.131694 C\n0.727209 0.093330 0.643177 O\n0.750864 0.098091 0.139593 O\n0.249618 0.097228 0.988165 O\n0.251899 0.098563 0.486270 O\n0.254583 0.139053 0.766560 O\n0.254372 0.144413 0.264549 O\n0.934777 0.321198 0.899004 O\n0.563665 0.320953 0.907911 O\n0.939483 0.313598 0.394620 O\n0.567889 0.321767 0.402893 O\n0.736093 0.415865 0.697131 O\n0.264924 0.429159 0.598975 O\n0.747748 0.413871 0.193300 O\n0.248846 0.423516 0.099105 O\n0.748666 0.581329 0.899442 O\n0.247542 0.586287 0.806846 O\n0.765207 0.576036 0.399506 O\n0.236115 0.584548 0.302988 O\n0.436743 0.694913 0.607033 O\n0.069148 0.686382 0.598483 O\n0.433278 0.686253 0.102315 O\n0.065547 0.686834 0.093378 O\n0.753243 0.858742 0.740443 O\n0.754863 0.863108 0.238512 O\n0.752125 0.881387 0.518665 O\n0.749155 0.882703 0.017242 O\n0.250384 0.897457 0.847430 O\n0.226538 0.903157 0.342475 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.801475401391213,
"density_atomic": 0.0888696308291091,
"volume": 585.1267695709554,
"volume_molar": 6.776376478462266,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -378.24682754,
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"energy_above_hull": null,
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"energy_uncorrected": -352.33882754,
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"updated_at": "2021-11-28T01:35:44.461000Z",
"spacegroup": 1
},
{
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"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -378.26335117,
"energy_per_atom": -7.274295214807693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -352.35535117,
"band_gap": 3.4913,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0043513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.243000Z",
"spacegroup": 1
}
]
}