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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=1763",
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"results": [
{
"id": "mp-1100651",
"created_at": "2022-09-04T14:42:06.587600Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.458058 9.714977 0.000000\n-1.458058 9.714977 0.000000\n0.000000 0.758622 10.143199\nLi Mn Co O\n9 2 5 16\ndirect\n0.364606 0.364606 0.935617 Li\n0.136404 0.136404 0.817635 Li\n0.869475 0.869475 0.684897 Li\n0.632493 0.632493 0.562234 Li\n0.369916 0.369916 0.435443 Li\n0.131330 0.131330 0.311911 Li\n0.867940 0.867940 0.186306 Li\n0.628929 0.628929 0.064423 Li\n0.750022 0.750022 0.875727 Li\n0.000788 0.000788 0.000520 Mn\n0.999208 0.999208 0.498968 Mn\n0.500395 0.500395 0.750250 Co\n0.251319 0.251319 0.639694 Co\n0.750094 0.750094 0.375119 Co\n0.499338 0.499338 0.250272 Co\n0.248511 0.248511 0.110651 Co\n0.443672 0.443672 0.074738 O\n0.189220 0.189220 0.984034 O\n0.948401 0.948401 0.841705 O\n0.689976 0.689976 0.713421 O\n0.443875 0.443875 0.579093 O\n0.193428 0.193428 0.468181 O\n0.944586 0.944586 0.350760 O\n0.694293 0.694293 0.228587 O\n0.312661 0.312661 0.764343 O\n0.051456 0.051456 0.657654 O\n0.804399 0.804399 0.522757 O\n0.556643 0.556643 0.425071 O\n0.306767 0.306767 0.280961 O\n0.054469 0.054469 0.151126 O\n0.809249 0.809249 0.037473 O\n0.556138 0.556138 0.920429 O\n",
"nsites": 32,
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"elements": [
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"Mn",
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],
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"density": 4.177983843689044,
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"volume": 287.35682634460846,
"volume_molar": 5.407822676856589,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.05336248,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:31.901000Z",
"spacegroup": 8
},
{
"id": "mp-1172969",
"created_at": "2022-09-04T14:42:01.953299Z",
"structure_string": "Li4 Fe2 P2 O8 F2\n1.0\n5.371793 0.000000 0.000000\n-0.456324 5.406837 0.000000\n-2.311353 -2.406508 6.728136\nLi Fe P O F\n4 2 2 8 2\ndirect\n0.233831 0.582093 0.151534 Li\n0.465099 0.130584 0.849854 Li\n0.499216 0.994333 0.479781 Li\n0.804272 0.446802 0.827388 Li\n0.998747 0.001687 0.008182 Fe\n0.983947 0.987138 0.491553 Fe\n0.658962 0.370494 0.241309 P\n0.337286 0.625155 0.767252 P\n0.260405 0.787220 0.625914 O\n0.737612 0.225267 0.391544 O\n0.331508 0.329089 0.664239 O\n0.147888 0.650823 0.890916 O\n0.839704 0.343933 0.109532 O\n0.367068 0.247666 0.088190 O\n0.654766 0.662395 0.344446 O\n0.630208 0.747872 0.907009 O\n0.817173 0.087896 0.730206 F\n0.160190 0.911187 0.272560 F\n",
"nsites": 18,
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"elements": [
"Li",
"Fe",
"P",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O-P",
"density": 3.1219309572202407,
"density_atomic": 0.0921117848105202,
"volume": 195.4147347923737,
"volume_molar": 6.537861330543021,
"formula_full": "Li4 Fe2 P2 O8 F2",
"formula_reduced": "Li2FePO4F",
"formula_anonymous": "ABCD2E4",
"energy": -125.14270076,
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"updated_at": "2021-11-28T01:35:35.338000Z",
"spacegroup": 1
},
{
"id": "mp-768602",
"created_at": "2022-09-04T14:41:58.893195Z",
"structure_string": "Li4 Fe5 Sb3 O16\n1.0\n3.059853 5.344039 0.000000\n-3.059853 5.344039 0.000000\n0.000000 0.130495 9.811785\nLi Fe Sb O\n4 5 3 16\ndirect\n0.662032 0.662032 0.117878 Li\n0.990297 0.990297 0.008833 Li\n0.991817 0.991817 0.497551 Li\n0.325366 0.325366 0.603510 Li\n0.676829 0.676829 0.498761 Fe\n0.832795 0.832795 0.782988 Fe\n0.345886 0.345886 0.012587 Fe\n0.173983 0.656207 0.283518 Fe\n0.656207 0.173983 0.283518 Fe\n0.338464 0.830861 0.783492 Sb\n0.830861 0.338464 0.783492 Sb\n0.171492 0.171492 0.286570 Sb\n0.324260 0.845887 0.402387 O\n0.513715 0.513715 0.662833 O\n0.659130 0.659130 0.897582 O\n0.008426 0.008426 0.679248 O\n0.003622 0.003622 0.192779 O\n0.845887 0.324260 0.402387 O\n0.503839 0.957260 0.658345 O\n0.957260 0.503839 0.658345 O\n0.159108 0.159108 0.894390 O\n0.836249 0.836249 0.402775 O\n0.031070 0.479953 0.167510 O\n0.479953 0.031070 0.167510 O\n0.330150 0.330150 0.398531 O\n0.171985 0.690485 0.896253 O\n0.483581 0.483581 0.171342 O\n0.690485 0.171985 0.896253 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-Li-O-Sb",
"density": 4.803637789462178,
"density_atomic": 0.0872589194646902,
"volume": 320.8841018405042,
"volume_molar": 6.901461531891753,
"formula_full": "Li4 Fe5 Sb3 O16",
"formula_reduced": "Li4Fe5Sb3O16",
"formula_anonymous": "A3B4C5D16",
"energy": -194.74619283,
"energy_per_atom": -6.955221172500001,
"energy_above_hull": null,
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"energy_uncorrected": -172.47419283,
"band_gap": 0.8260999999999998,
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"updated_at": "2021-11-28T01:35:35.899000Z",
"spacegroup": 8
},
{
"id": "mp-1331973",
"created_at": "2022-09-04T14:42:02.074551Z",
"structure_string": "Na6 Zr6 Fe2 P12 O48\n1.0\n8.878718 0.000000 0.000000\n-4.425462 8.123965 0.000000\n-0.019845 -4.858894 14.654243\nNa Zr Fe P O\n6 6 2 12 48\ndirect\n0.976885 0.994348 0.011620 Na\n0.002415 0.518809 0.489840 Na\n0.500240 0.250223 0.249872 Na\n0.497606 0.742819 0.750715 Na\n0.268464 0.004734 0.819570 Na\n0.913939 0.192208 0.634309 Na\n0.149502 0.367843 0.069211 Zr\n0.353986 0.884960 0.175915 Zr\n0.144526 0.862477 0.575748 Zr\n0.646542 0.615213 0.324175 Zr\n0.851929 0.132413 0.426834 Zr\n0.848522 0.629550 0.925617 Zr\n0.357473 0.387250 0.676379 Fe\n0.651839 0.123374 0.828902 Fe\n0.040657 0.021210 0.229091 P\n0.457473 0.874667 0.375051 P\n0.749175 0.227480 0.017943 P\n0.252100 0.270593 0.483639 P\n0.541079 0.623947 0.125086 P\n0.042335 0.513510 0.730586 P\n0.960254 0.478691 0.269331 P\n0.458723 0.371307 0.870536 P\n0.743162 0.724682 0.523784 P\n0.256546 0.777376 0.976172 P\n0.540443 0.132022 0.628161 P\n0.961293 0.988915 0.769663 P\n0.123306 0.658162 0.253905 O\n0.281269 0.851907 0.060596 O\n0.064475 0.124930 0.140883 O\n0.509142 0.771832 0.140698 O\n0.217994 0.018709 0.217569 O\n0.006461 0.101286 0.311401 O\n0.281024 0.805816 0.459042 O\n0.434863 0.944668 0.291003 O\n0.582153 0.124812 0.106658 O\n0.220190 0.090320 0.497154 O\n0.078861 0.262253 0.471684 O\n0.377751 0.478461 0.108065 O\n0.621013 0.021463 0.391911 O\n0.134154 0.160243 0.754768 O\n0.917373 0.231417 0.030965 O\n0.781741 0.407978 0.002949 O\n0.417584 0.375062 0.394598 O\n0.269314 0.345670 0.567876 O\n0.564127 0.554639 0.209120 O\n0.065212 0.621069 0.642949 O\n0.718177 0.692939 0.041016 O\n0.505366 0.277509 0.640378 O\n0.217301 0.508716 0.718421 O\n0.994918 0.399060 0.187358 O\n0.009362 0.598879 0.811606 O\n0.782859 0.481719 0.281639 O\n0.491823 0.728853 0.358682 O\n0.283658 0.305638 0.956523 O\n0.935725 0.375485 0.358313 O\n0.435070 0.440488 0.787462 O\n0.718282 0.650240 0.438940 O\n0.574505 0.621439 0.610338 O\n0.220912 0.596012 0.993307 O\n0.088914 0.776347 0.961819 O\n0.877525 0.841825 0.245574 O\n0.377563 0.981263 0.611613 O\n0.622585 0.518030 0.888494 O\n0.914923 0.731175 0.534204 O\n0.779570 0.907471 0.506177 O\n0.422906 0.884045 0.887811 O\n0.562130 0.062509 0.713506 O\n0.722305 0.195535 0.545917 O\n0.990461 0.903750 0.687977 O\n0.788948 0.998389 0.777274 O\n0.488717 0.220913 0.858815 O\n0.935962 0.878447 0.857044 O\n0.718499 0.146810 0.936488 O\n0.873409 0.336206 0.746170 O\n",
"nsites": 74,
"nelements": 5,
"elements": [
"Na",
"Zr",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Na-O-P-Zr",
"density": 3.0423825703757306,
"density_atomic": 0.07000837945493618,
"volume": 1057.016325419062,
"volume_molar": 8.602028509853456,
"formula_full": "Na6 Zr6 Fe2 P12 O48",
"formula_reduced": "Na3Zr3Fe(PO4)6",
"formula_anonymous": "AB3C3D6E24",
"energy": -485.23242165,
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"updated_at": "2021-11-28T01:35:37.522000Z",
"spacegroup": 1
},
{
"id": "mp-1028339",
"created_at": "2022-09-04T14:42:02.097539Z",
"structure_string": "Ca1 Mg14 Co1\n1.0\n6.444009 0.107580 0.000000\n-3.128838 5.419305 0.000000\n0.000000 0.000000 10.173587\nCa Mg Co\n1 14 1\ndirect\n0.141963 0.320981 0.125000 Ca\n0.170660 0.335329 0.625000 Mg\n0.162224 0.831112 0.625000 Mg\n0.633234 0.303703 0.125000 Mg\n0.663516 0.336790 0.625000 Mg\n0.633234 0.829530 0.125000 Mg\n0.663516 0.826725 0.625000 Mg\n0.336947 0.160012 0.372718 Mg\n0.336947 0.160012 0.877282 Mg\n0.336947 0.676936 0.372718 Mg\n0.336947 0.676936 0.877282 Mg\n0.833295 0.166648 0.388964 Mg\n0.833295 0.166648 0.861036 Mg\n0.862375 0.681188 0.345868 Mg\n0.862375 0.681188 0.904132 Mg\n0.192527 0.846263 0.125000 Co\n",
"nsites": 16,
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"elements": [
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"Mg",
"Co"
],
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"density": 2.0335362531215204,
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"volume": 358.70694923708464,
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"formula_full": "Ca1 Mg14 Co1",
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"updated_at": "2021-11-28T01:35:28.846000Z",
"spacegroup": 38
},
{
"id": "mp-1340467",
"created_at": "2022-09-04T14:42:06.716998Z",
"structure_string": "Zn1 Mo6 O16\n1.0\n3.093524 -5.358140 0.000000\n3.093524 5.358140 0.000000\n0.000000 0.000000 9.557733\nZn Mo O\n1 6 16\ndirect\n0.000000 0.000000 0.285320 Zn\n0.502550 0.005100 0.071282 Mo\n0.665715 0.832858 0.575353 Mo\n0.502550 0.497450 0.071282 Mo\n0.167142 0.832858 0.575353 Mo\n0.167142 0.334285 0.575353 Mo\n0.994900 0.497450 0.071282 Mo\n0.333333 0.666667 0.460944 O\n0.333333 0.666667 0.968438 O\n0.000000 0.000000 0.686614 O\n0.666667 0.333333 0.189120 O\n0.860013 0.720026 0.456009 O\n0.810879 0.189121 0.966404 O\n0.378242 0.189121 0.966404 O\n0.279974 0.139987 0.456009 O\n0.860013 0.139987 0.456009 O\n0.810879 0.621758 0.966404 O\n0.175339 0.824661 0.179374 O\n0.032882 0.516441 0.675412 O\n0.483559 0.967118 0.675412 O\n0.483559 0.516441 0.675412 O\n0.649321 0.824661 0.179374 O\n0.175339 0.350679 0.179374 O\n",
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"formula_full": "Zn1 Mo6 O16",
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"energy": -185.23212622,
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"updated_at": "2021-11-28T01:35:35.393000Z",
"spacegroup": 156
},
{
"id": "mp-1096167",
"created_at": "2022-09-04T14:42:06.716822Z",
"structure_string": "Li1 Sc1 In2\n1.0\n-5.735714 5.907965 8.360791\n5.735714 -5.907965 8.360791\n5.735714 5.907965 -8.360791\nLi Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.243980 0.243980 In\n0.000000 0.756020 0.756020 In\n",
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"volume": 1133.2683510355007,
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"formula_full": "Li1 Sc1 In2",
"formula_reduced": "LiScIn2",
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{
"id": "mp-1046836",
"created_at": "2022-09-04T14:42:06.574679Z",
"structure_string": "Mg4 Nb4 V2 O16\n1.0\n3.023844 9.630920 0.000000\n-3.023844 9.630920 0.000000\n0.000000 0.045842 5.234198\nMg Nb V O\n4 4 2 16\ndirect\n0.585330 0.870663 0.746664 Mg\n0.129337 0.414670 0.753336 Mg\n0.414670 0.129337 0.253336 Mg\n0.870663 0.585330 0.246664 Mg\n0.715695 0.050796 0.754780 Nb\n0.949204 0.284305 0.745220 Nb\n0.284305 0.949204 0.245220 Nb\n0.050796 0.715695 0.254780 Nb\n0.351018 0.648982 0.750000 V\n0.648982 0.351018 0.250000 V\n0.816264 0.039746 0.418565 O\n0.960254 0.183736 0.081435 O\n0.183736 0.960254 0.581435 O\n0.039746 0.816264 0.918565 O\n0.566896 0.315014 0.906330 O\n0.684986 0.433104 0.593670 O\n0.433104 0.684986 0.093670 O\n0.315014 0.566896 0.406330 O\n0.707116 0.917428 0.042086 O\n0.082572 0.292884 0.457914 O\n0.162486 0.454074 0.115722 O\n0.545926 0.837514 0.384278 O\n0.837514 0.545926 0.884278 O\n0.454074 0.162486 0.615722 O\n0.917428 0.707116 0.542086 O\n0.292884 0.082572 0.957914 O\n",
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"formula_full": "Mg4 Nb4 V2 O16",
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"spacegroup": 15
},
{
"id": "mp-1064814",
"created_at": "2022-09-04T14:42:00.184914Z",
"structure_string": "K2 C2\n1.0\n2.182303 3.781742 0.000000\n-2.182303 3.781742 0.000000\n0.000000 2.527413 7.130779\nK C\n2 2\ndirect\n0.755722 0.755722 0.750254 K\n0.244278 0.244278 0.249746 K\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.500000 C\n",
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