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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-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,
"nelements": 6,
"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,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -347.9535821,
"band_gap": 3.2839,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0049465,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.291000Z",
"spacegroup": 7
},
{
"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,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.6017095,
"band_gap": 3.5313,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0016481,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.025000Z",
"spacegroup": 1
},
{
"id": "mp-772727",
"created_at": "2022-09-04T14:45:07.126370Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.697223 0.000000 0.000000\n0.126564 8.630509 0.000000\n0.013917 0.432860 10.000311\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.498073 0.752623 0.374557 Na\n0.501927 0.247377 0.625443 Na\n0.764961 0.911618 0.126137 Li\n0.769274 0.913369 0.629015 Li\n0.970939 0.728483 0.385779 Li\n0.970332 0.730222 0.883099 Li\n0.526981 0.734391 0.881757 Li\n0.473019 0.265609 0.118243 Li\n0.029668 0.269778 0.116901 Li\n0.029061 0.271517 0.614221 Li\n0.230726 0.086631 0.370985 Li\n0.235039 0.088382 0.873863 Li\n0.246822 0.650195 0.109412 Mn\n0.245839 0.645089 0.614318 Mn\n0.754161 0.354911 0.385682 Mn\n0.753178 0.349805 0.890588 Mn\n0.752909 0.591951 0.141784 P\n0.753846 0.592498 0.645763 P\n0.246154 0.407502 0.354237 P\n0.247091 0.408049 0.858216 P\n0.248292 0.962651 0.135116 C\n0.239705 0.956808 0.639912 C\n0.760295 0.043192 0.360088 C\n0.751708 0.037349 0.864884 C\n0.778384 0.899648 0.326477 O\n0.747520 0.891946 0.834011 O\n0.246853 0.922078 0.012687 O\n0.250301 0.921366 0.515328 O\n0.244422 0.856902 0.232172 O\n0.246970 0.848510 0.734402 O\n0.930500 0.687487 0.083093 O\n0.564647 0.688527 0.096996 O\n0.927262 0.697818 0.593766 O\n0.560864 0.679202 0.599696 O\n0.768720 0.581979 0.297521 O\n0.228988 0.574477 0.405941 O\n0.758542 0.579354 0.802537 O\n0.251988 0.577356 0.905196 O\n0.748012 0.422644 0.094804 O\n0.241458 0.420646 0.197463 O\n0.771012 0.425523 0.594059 O\n0.231280 0.418021 0.702479 O\n0.439136 0.320798 0.400304 O\n0.072738 0.302182 0.406234 O\n0.435353 0.311473 0.903004 O\n0.069500 0.312513 0.916907 O\n0.753030 0.151490 0.265598 O\n0.755578 0.143098 0.767828 O\n0.749699 0.078634 0.484672 O\n0.753147 0.077922 0.987313 O\n0.252480 0.108054 0.165989 O\n0.221616 0.100352 0.673523 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7436981824682953,
"density_atomic": 0.08996191000055219,
"volume": 578.0224097029601,
"volume_molar": 6.694100603203107,
"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -380.46722948,
"energy_per_atom": -7.31667749,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -354.55922948,
"band_gap": 3.2875,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0039011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.381000Z",
"spacegroup": 2
},
{
"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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"energy_uncorrected": -349.49461456,
"band_gap": 3.4684,
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"is_magnetic": true,
"total_magnetization": 20.0043901,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.984000Z",
"spacegroup": 1
},
{
"id": "mp-770929",
"created_at": "2022-09-04T14:39:05.308928Z",
"structure_string": "Na3 Li3 Mn2 P2 C2 O14\n1.0\n8.815864 0.334648 0.105590\n0.256113 6.752439 -0.052669\n0.045958 -0.039498 5.160699\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.084387 0.210119 0.743455 Na\n0.245226 0.517555 0.247964 Na\n0.751350 0.491527 0.754237 Na\n0.295037 0.054786 0.215627 Li\n0.714387 0.951251 0.778341 Li\n0.906801 0.805992 0.262388 Li\n0.359482 0.758230 0.778547 Mn\n0.650091 0.235345 0.223205 Mn\n0.422100 0.244582 0.712740 P\n0.584951 0.750799 0.289135 P\n0.035901 0.762292 0.737739 C\n0.954415 0.237147 0.260519 C\n0.100969 0.236718 0.281508 O\n0.062576 0.752802 0.983436 O\n0.148542 0.766550 0.569783 O\n0.326966 0.078233 0.823239 O\n0.338012 0.444790 0.800006 O\n0.428754 0.230098 0.409395 O\n0.419432 0.780946 0.187662 O\n0.587706 0.221335 0.811053 O\n0.575858 0.768607 0.591863 O\n0.662651 0.547940 0.204399 O\n0.688597 0.910549 0.180758 O\n0.866562 0.236597 0.466690 O\n0.891290 0.235047 0.035695 O\n0.897956 0.770162 0.650615 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.759115231605815,
"density_atomic": 0.08476957829082364,
"volume": 306.7138061109656,
"volume_molar": 7.104129667059934,
"formula_full": "Na3 Li3 Mn2 P2 C2 O14",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -188.783342,
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"energy_above_hull": null,
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"band_gap": 3.4453,
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"is_magnetic": true,
"total_magnetization": 10.0015223,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.969000Z",
"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,
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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-772418",
"created_at": "2022-09-04T14:47:09.806807Z",
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{
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{
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{
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{
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{
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"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",
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}