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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=12126",
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"results": [
{
"id": "mp-774240",
"created_at": "2022-09-04T14:44:15.204652Z",
"structure_string": "Na3 Li3 Mn2 P2 C2 O14\n1.0\n5.079335 0.000000 0.000000\n0.010149 6.719647 0.000000\n0.151298 0.039161 8.758358\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.756558 0.743653 0.084015 Na\n0.250846 0.001918 0.252158 Na\n0.750628 0.498568 0.748078 Na\n0.226047 0.525248 0.272548 Li\n0.773210 0.021857 0.730128 Li\n0.253084 0.246461 0.912295 Li\n0.776490 0.255940 0.359307 Mn\n0.224042 0.755347 0.644202 Mn\n0.705208 0.752344 0.412562 P\n0.296056 0.251123 0.593533 P\n0.731004 0.241654 0.044606 C\n0.266167 0.741910 0.947045 C\n0.284523 0.723778 0.094863 O\n0.976506 0.246184 0.084378 O\n0.544230 0.260188 0.147684 O\n0.778732 0.938931 0.315118 O\n0.825235 0.570969 0.325772 O\n0.398211 0.730194 0.420712 O\n0.189662 0.266696 0.428008 O\n0.806824 0.767570 0.578059 O\n0.602323 0.229472 0.580283 O\n0.225504 0.435374 0.693196 O\n0.178938 0.071257 0.684010 O\n0.476602 0.756389 0.861423 O\n0.037622 0.746779 0.883423 O\n0.665748 0.220195 0.902596 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.830917120090863,
"density_atomic": 0.08697558104766386,
"volume": 298.93447892865044,
"volume_molar": 6.923944269713797,
"formula_full": "Na3 Li3 Mn2 P2 C2 O14",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -188.5557095,
"energy_per_atom": -7.252142673076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -175.6017095,
"band_gap": 3.5313,
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"total_magnetization": 10.0016481,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.025000Z",
"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,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8171697558132993,
"density_atomic": 0.08655321439219758,
"volume": 600.7864683612211,
"volume_molar": 6.957732075335692,
"formula_full": "Na6 Li6 Mn4 P4 C4 O28",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -377.00829049,
"energy_per_atom": -7.250159432499999,
"energy_above_hull": null,
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"energy_uncorrected": -351.10029049,
"band_gap": 3.2932,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0043944,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.390000Z",
"spacegroup": 1
},
{
"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,
"nelements": 6,
"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,
"energy_per_atom": -7.221261925384615,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -349.59762012,
"band_gap": 3.4319,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0041516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.105000Z",
"spacegroup": 1
},
{
"id": "mp-1176546",
"created_at": "2022-09-04T14:43:12.356999Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.792468 0.000000 0.000000\n-0.155899 8.877822 0.000000\n-0.033650 -0.155700 10.287597\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.234749 0.918061 0.878773 Na\n0.247144 0.915548 0.379022 Na\n0.501607 0.747377 0.626596 Na\n0.999228 0.743465 0.125543 Na\n0.500449 0.742583 0.124322 Na\n0.501306 0.252938 0.873753 Na\n0.503275 0.255235 0.377582 Na\n0.997172 0.254073 0.375407 Na\n0.036988 0.719320 0.609414 Li\n0.970295 0.275266 0.888323 Li\n0.777875 0.088022 0.630422 Li\n0.755482 0.099686 0.122638 Li\n0.749975 0.640036 0.883340 Mn\n0.754537 0.635479 0.394433 Mn\n0.247497 0.353653 0.616852 Mn\n0.244385 0.358725 0.107051 Mn\n0.238483 0.586698 0.850086 P\n0.251954 0.585693 0.358802 P\n0.758628 0.406503 0.650905 P\n0.747207 0.407723 0.142625 P\n0.759956 0.957593 0.867449 C\n0.750681 0.948269 0.362916 C\n0.239817 0.051116 0.632256 C\n0.248531 0.059822 0.132793 C\n0.223973 0.905907 0.640771 O\n0.254578 0.915321 0.144301 O\n0.753829 0.923732 0.990049 O\n0.748660 0.921065 0.486617 O\n0.747303 0.851983 0.778489 O\n0.758591 0.836943 0.278723 O\n0.065218 0.682469 0.901122 O\n0.431600 0.672030 0.890281 O\n0.073269 0.678719 0.408376 O\n0.439284 0.679515 0.398179 O\n0.227721 0.575914 0.697950 O\n0.769974 0.569960 0.596430 O\n0.242168 0.569853 0.207187 O\n0.747240 0.566474 0.082539 O\n0.230166 0.422878 0.902520 O\n0.772228 0.421053 0.802466 O\n0.252745 0.426372 0.416610 O\n0.757677 0.427362 0.293554 O\n0.564783 0.322038 0.612269 O\n0.927513 0.305014 0.600764 O\n0.560962 0.312297 0.104583 O\n0.922995 0.310128 0.094387 O\n0.249572 0.135815 0.736216 O\n0.242163 0.146774 0.235743 O\n0.246341 0.115535 0.519423 O\n0.247953 0.121027 0.019023 O\n0.778725 0.096567 0.830642 O\n0.745547 0.084373 0.319482 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": 2.8141721603874315,
"density_atomic": 0.08382148801185732,
"volume": 620.3659853025291,
"volume_molar": 7.184483242707541,
"formula_full": "Na8 Li4 Mn4 P4 C4 O28",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -375.66167788,
"energy_per_atom": -7.224263036153847,
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"updated_at": "2021-11-28T01:36:04.721000Z",
"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,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"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,
"energy_per_atom": -7.248552540192308,
"energy_above_hull": null,
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"energy_uncorrected": -351.01673209,
"band_gap": 3.2924,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:05.854000Z",
"spacegroup": 1
},
{
"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": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"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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"energy_above_hull": null,
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"band_gap": 3.4490000000000003,
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"updated_at": "2021-11-28T01:37:55.501000Z",
"spacegroup": 1
},
{
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"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -379.18279434,
"energy_per_atom": -7.291976814230769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -353.27479434,
"band_gap": 2.3055000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.269000Z",
"spacegroup": 4
}
]
}