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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=71",
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"results": [
{
"id": "mp-772313",
"created_at": "2022-09-04T14:41:10.531870Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.652213 0.000000 0.000000\n0.017203 8.718719 0.000000\n0.008307 0.175282 10.078820\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.745867 0.084159 0.877931 Na\n0.747905 0.084277 0.378604 Na\n0.002961 0.251580 0.124445 Na\n0.499579 0.748454 0.376342 Na\n0.979535 0.265075 0.616904 Li\n0.522155 0.266928 0.613884 Li\n0.518029 0.268049 0.115305 Li\n0.482151 0.736475 0.882055 Li\n0.019711 0.734690 0.885620 Li\n0.015917 0.733846 0.384437 Li\n0.245877 0.917806 0.628005 Li\n0.250881 0.912663 0.123413 Li\n0.252807 0.357822 0.884346 Mn\n0.252286 0.359809 0.391735 Mn\n0.753420 0.644641 0.615896 Mn\n0.751525 0.641968 0.108919 Mn\n0.749919 0.412513 0.849479 P\n0.751697 0.412768 0.355525 P\n0.250196 0.593391 0.651247 P\n0.250578 0.592942 0.145412 P\n0.250184 0.041461 0.865799 C\n0.243009 0.046028 0.365866 C\n0.750859 0.950471 0.633394 C\n0.742696 0.945822 0.132277 C\n0.751394 0.100198 0.640344 O\n0.723744 0.094350 0.141574 O\n0.247104 0.088400 0.987878 O\n0.250527 0.089820 0.488444 O\n0.252754 0.140814 0.767626 O\n0.258132 0.147708 0.269454 O\n0.938088 0.322928 0.898068 O\n0.566978 0.320625 0.904404 O\n0.937034 0.314346 0.398939 O\n0.566700 0.325910 0.414000 O\n0.746453 0.413428 0.693861 O\n0.247495 0.423402 0.603054 O\n0.734798 0.418182 0.200515 O\n0.267955 0.426274 0.093880 O\n0.747160 0.582180 0.895085 O\n0.245817 0.586465 0.806774 O\n0.768133 0.579106 0.404528 O\n0.234104 0.581861 0.300124 O\n0.437262 0.684466 0.604579 O\n0.069305 0.688631 0.597768 O\n0.433513 0.694286 0.103761 O\n0.066859 0.681855 0.088092 O\n0.753018 0.865323 0.740112 O\n0.755793 0.860001 0.238371 O\n0.748263 0.884759 0.518827 O\n0.749339 0.882227 0.017066 O\n0.250962 0.895914 0.839917 O\n0.221569 0.902902 0.336114 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.804195347897125,
"density_atomic": 0.08895591416457417,
"volume": 584.5592222659491,
"volume_molar": 6.7698036904647525,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -378.42125991,
"energy_per_atom": -7.277331921346154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -352.51325991,
"band_gap": 3.4936,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0041035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.437000Z",
"spacegroup": 1
},
{
"id": "mp-754568",
"created_at": "2022-09-04T14:41:31.334939Z",
"structure_string": "Na5 Li1 Mn2 P2 C2 O14\n1.0\n8.987375 -0.000582 0.129369\n-0.000449 6.855514 0.000294\n0.059522 0.000219 5.194387\nNa Li Mn P C O\n5 1 2 2 2 14\ndirect\n0.253739 0.003978 0.253372 Na\n0.253737 0.495986 0.253396 Na\n0.741457 0.502450 0.740725 Na\n0.741449 0.997554 0.740779 Na\n0.913264 0.749999 0.233756 Na\n0.107167 0.249989 0.765962 Li\n0.356554 0.749735 0.776751 Mn\n0.633034 0.250316 0.219065 Mn\n0.406386 0.249961 0.711276 P\n0.585502 0.750061 0.282575 P\n0.059157 0.749962 0.728744 C\n0.951267 0.250012 0.281198 C\n0.082244 0.249972 0.381558 O\n0.116368 0.749924 0.956393 O\n0.148838 0.749949 0.527011 O\n0.311507 0.069745 0.796128 O\n0.311543 0.430170 0.796075 O\n0.426041 0.250061 0.411606 O\n0.427870 0.749930 0.167933 O\n0.564126 0.250078 0.827915 O\n0.567482 0.749949 0.583361 O\n0.677590 0.567420 0.196919 O\n0.677603 0.932729 0.196875 O\n0.833971 0.250052 0.436261 O\n0.935714 0.250023 0.032957 O\n0.916390 0.749994 0.701412 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.811212025183829,
"density_atomic": 0.08125270037492824,
"volume": 319.989365030663,
"volume_molar": 7.411619222760287,
"formula_full": "Na5 Li1 Mn2 P2 C2 O14",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -187.10740055,
"energy_per_atom": -7.196438482692307,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -174.15340055,
"band_gap": 3.3952,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0022204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.409000Z",
"spacegroup": 6
},
{
"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-773725",
"created_at": "2022-09-04T14:47:27.958256Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.637303 0.000000 0.000000\n0.055670 8.642310 0.000000\n0.010902 0.319673 10.036434\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.749216 0.913671 0.123493 Na\n0.500263 0.248519 0.624017 Na\n0.763331 0.918349 0.627659 Li\n0.972119 0.733262 0.389130 Li\n0.528638 0.733776 0.390124 Li\n0.976280 0.731530 0.883389 Li\n0.522964 0.733637 0.882614 Li\n0.472432 0.268401 0.114700 Li\n0.029351 0.269737 0.113774 Li\n0.020836 0.266934 0.614447 Li\n0.243226 0.083807 0.370356 Li\n0.237338 0.086598 0.872635 Li\n0.248920 0.647786 0.113281 Mn\n0.250338 0.646193 0.610944 Mn\n0.755274 0.351257 0.383301 Mn\n0.751845 0.354311 0.888670 Mn\n0.749096 0.584747 0.144227 P\n0.754903 0.594538 0.643551 P\n0.250918 0.408044 0.351583 P\n0.245809 0.411700 0.854542 P\n0.249502 0.962163 0.135795 C\n0.240758 0.957111 0.638940 C\n0.750834 0.038449 0.371365 C\n0.752721 0.047098 0.860756 C\n0.749114 0.889834 0.353863 O\n0.750800 0.897445 0.845874 O\n0.247044 0.920012 0.012879 O\n0.248176 0.920205 0.515022 O\n0.248552 0.857904 0.232629 O\n0.254551 0.849935 0.733545 O\n0.933523 0.675254 0.088037 O\n0.563868 0.676573 0.088825 O\n0.933697 0.697554 0.594712 O\n0.565792 0.682869 0.590145 O\n0.750653 0.584670 0.300258 O\n0.246352 0.577825 0.400244 O\n0.750690 0.585308 0.799884 O\n0.249837 0.581083 0.902522 O\n0.747750 0.412499 0.103118 O\n0.244487 0.417204 0.195401 O\n0.769461 0.426811 0.593813 O\n0.230868 0.420171 0.699362 O\n0.440082 0.315681 0.397361 O\n0.071478 0.309358 0.405607 O\n0.434579 0.315697 0.899306 O\n0.067259 0.315832 0.913298 O\n0.755672 0.134013 0.268902 O\n0.758333 0.138672 0.755606 O\n0.748485 0.091273 0.490905 O\n0.749490 0.106918 0.976992 O\n0.252627 0.107721 0.165369 O\n0.219869 0.100061 0.673224 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7547366953867116,
"density_atomic": 0.09032384693372213,
"volume": 575.7062145299965,
"volume_molar": 6.667276654435377,
"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -380.19521608,
"energy_per_atom": -7.311446463076924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -354.28721608,
"band_gap": 3.2926,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0040448,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.848000Z",
"spacegroup": 1
},
{
"id": "mp-755754",
"created_at": "2022-09-04T14:42:48.220814Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n0.131868 6.771745 5.074220\n0.131695 -6.771890 5.074419\n8.682680 0.000107 0.253556\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.628235 0.631214 0.245447 Na\n0.128266 0.131218 0.245477 Na\n0.618767 0.121746 0.754575 Na\n0.118786 0.621775 0.754563 Na\n0.512731 0.249634 0.103368 Li\n0.012719 0.749629 0.103318 Li\n0.500365 0.737249 0.896676 Li\n0.000350 0.237249 0.896688 Li\n0.352345 0.889617 0.278663 Li\n0.852357 0.389648 0.278572 Li\n0.860322 0.897611 0.721316 Li\n0.360422 0.397701 0.721412 Li\n0.260584 0.518977 0.350904 Mn\n0.731085 0.489360 0.648984 Mn\n0.760653 0.019013 0.350873 Mn\n0.231189 0.989529 0.649058 Mn\n0.482403 0.237208 0.410075 P\n0.982436 0.737238 0.410062 P\n0.512809 0.767603 0.589926 P\n0.012786 0.267555 0.589949 P\n0.741094 0.976351 0.038940 C\n0.241120 0.476374 0.038967 C\n0.273621 0.008872 0.961094 C\n0.773606 0.508843 0.961025 C\n0.322795 0.040478 0.100038 O\n0.822787 0.540520 0.099954 O\n0.709509 0.927200 0.899988 O\n0.209500 0.427195 0.900033 O\n0.867506 0.098282 0.066552 O\n0.367543 0.598302 0.066540 O\n0.151694 0.882475 0.933493 O\n0.651670 0.382414 0.933499 O\n0.641035 0.900989 0.152963 O\n0.141070 0.401025 0.153013 O\n0.349002 0.108940 0.847073 O\n0.848961 0.608840 0.846953 O\n0.428080 0.365798 0.308689 O\n0.928134 0.865833 0.308652 O\n0.384167 0.821828 0.691359 O\n0.884121 0.321792 0.691334 O\n0.631465 0.207303 0.316863 O\n0.131506 0.707335 0.316853 O\n0.542807 0.618569 0.683115 O\n0.042732 0.118510 0.683143 O\n0.339765 0.072785 0.426410 O\n0.839791 0.572802 0.426323 O\n0.677184 0.910307 0.573559 O\n0.177180 0.410233 0.573644 O\n0.454578 0.724098 0.424992 O\n0.954601 0.224092 0.424991 O\n0.525857 0.295395 0.575036 O\n0.025905 0.795447 0.575010 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7491562801030676,
"density_atomic": 0.08720994072728924,
"volume": 596.2623018241366,
"volume_molar": 6.905337522051067,
"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,
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"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
},
{
"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,
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"updated_at": "2021-11-28T01:36:43.291000Z",
"spacegroup": 7
},
{
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.75367788,
"band_gap": 3.428,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.003824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.721000Z",
"spacegroup": 1
}
]
}