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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12095",
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"results": [
{
"id": "mp-759959",
"created_at": "2022-09-04T14:40:02.348475Z",
"structure_string": "Li10 Mn5 Fe3 O16\n1.0\n5.967911 0.000000 0.000000\n-2.912045 5.280472 0.000000\n-0.081933 -0.228417 10.018969\nLi Mn Fe O\n10 5 3 16\ndirect\n0.205821 0.394645 0.066364 Li\n0.687355 0.341255 0.775878 Li\n0.818468 0.186786 0.563935 Li\n0.403554 0.185577 0.564134 Li\n0.350036 0.673366 0.273794 Li\n0.213318 0.812263 0.058098 Li\n0.804141 0.602736 0.554671 Li\n0.617689 0.791019 0.056420 Li\n0.019327 0.995827 0.479516 Li\n0.016456 0.013770 0.984586 Li\n0.345697 0.659738 0.523251 Mn\n0.844348 0.167125 0.286381 Mn\n0.681911 0.333309 0.026620 Mn\n0.681755 0.836640 0.784698 Mn\n0.845635 0.662148 0.284634 Mn\n0.187523 0.342149 0.786362 Fe\n0.349411 0.166880 0.286296 Fe\n0.184224 0.834995 0.785099 Fe\n0.332320 0.161192 0.902944 O\n0.166179 0.310011 0.396698 O\n0.025257 0.508108 0.668397 O\n0.524468 0.016460 0.173722 O\n0.849527 0.160578 0.895689 O\n0.327804 0.660123 0.909546 O\n0.179903 0.843136 0.390134 O\n0.511379 0.507782 0.674122 O\n0.666951 0.299653 0.405528 O\n0.516053 0.486871 0.176274 O\n0.510554 0.980198 0.672281 O\n0.849483 0.694441 0.900562 O\n0.003269 0.517503 0.164217 O\n0.692369 0.804356 0.408049 O\n0.040989 0.015735 0.665926 O\n0.026094 0.032790 0.170912 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.0372016927950405,
"density_atomic": 0.10768638604051466,
"volume": 315.7316467766709,
"volume_molar": 5.592295350810919,
"formula_full": "Li10 Mn5 Fe3 O16",
"formula_reduced": "Li10Mn5Fe3O16",
"formula_anonymous": "A3B5C10D16",
"energy": -237.06108981,
"energy_per_atom": -6.972384994411764,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -210.96108981,
"band_gap": 0.2826999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.9995095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.703000Z",
"spacegroup": 1
},
{
"id": "mp-1176532",
"created_at": "2022-09-04T14:40:02.075409Z",
"structure_string": "Mn7 Cu1 P12 O48\n1.0\n8.514078 -0.006902 -0.001238\n-0.006912 8.533389 -0.002800\n-0.001748 -0.003888 11.881933\nMn Cu P O\n7 1 12 48\ndirect\n0.250172 0.965766 0.616886 Mn\n0.251061 0.535678 0.381639 Mn\n0.249377 0.034936 0.117222 Mn\n0.250743 0.463851 0.884268 Mn\n0.750823 0.535294 0.117574 Mn\n0.749711 0.964796 0.883428 Mn\n0.748665 0.035646 0.382329 Mn\n0.749098 0.461807 0.616131 Cu\n0.106737 0.391608 0.145922 P\n0.106446 0.108384 0.854458 P\n0.390792 0.609876 0.645930 P\n0.392955 0.892359 0.353986 P\n0.607705 0.104966 0.646674 P\n0.605508 0.390304 0.352601 P\n0.893800 0.609533 0.856164 P\n0.893120 0.891606 0.145911 P\n0.039143 0.249043 0.498884 P\n0.462603 0.749894 0.000275 P\n0.537431 0.249858 0.000027 P\n0.964182 0.751352 0.498850 P\n0.060075 0.642768 0.422411 O\n0.060024 0.860412 0.575616 O\n0.074678 0.900349 0.158550 O\n0.074974 0.598446 0.840430 O\n0.150714 0.158388 0.578880 O\n0.146259 0.342220 0.417529 O\n0.157367 0.438887 0.026948 O\n0.158239 0.060997 0.972663 O\n0.152376 0.222249 0.175799 O\n0.152767 0.277847 0.824289 O\n0.181879 0.512566 0.227244 O\n0.179230 0.988677 0.771415 O\n0.319281 0.012329 0.271879 O\n0.319739 0.487716 0.728314 O\n0.343155 0.778556 0.676292 O\n0.347791 0.722441 0.323596 O\n0.340984 0.561525 0.527415 O\n0.341311 0.938235 0.472747 O\n0.353822 0.841663 0.081075 O\n0.353126 0.658640 0.918978 O\n0.426199 0.095670 0.659582 O\n0.423385 0.398339 0.339163 O\n0.440864 0.141928 0.076855 O\n0.441393 0.358607 0.922993 O\n0.559184 0.641573 0.076512 O\n0.558488 0.858562 0.923114 O\n0.571060 0.603965 0.663161 O\n0.574714 0.899838 0.342275 O\n0.646918 0.341588 0.080438 O\n0.645780 0.158062 0.918814 O\n0.659277 0.061996 0.527395 O\n0.653114 0.442724 0.469542 O\n0.651727 0.221229 0.321982 O\n0.651064 0.272667 0.681084 O\n0.675643 0.511965 0.269417 O\n0.681389 0.983367 0.728010 O\n0.819899 0.011989 0.228287 O\n0.821640 0.486328 0.776216 O\n0.847650 0.722192 0.176713 O\n0.849222 0.778520 0.825211 O\n0.843419 0.564601 0.975041 O\n0.841326 0.938641 0.027515 O\n0.854480 0.663817 0.580766 O\n0.853993 0.841571 0.417953 O\n0.924860 0.099560 0.841166 O\n0.925363 0.400414 0.158762 O\n0.941369 0.141042 0.422807 O\n0.948720 0.357784 0.577992 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Mn",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Mn-O-P",
"density": 3.0541502347988105,
"density_atomic": 0.07877038832079035,
"volume": 863.2685638551352,
"volume_molar": 7.645183537086283,
"formula_full": "Mn7 Cu1 P12 O48",
"formula_reduced": "Mn7Cu(PO4)12",
"formula_anonymous": "AB7C12D48",
"energy": -515.322136,
"energy_per_atom": -7.578266705882353,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -470.670136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0016696,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.795000Z",
"spacegroup": 1
},
{
"id": "mp-37436",
"created_at": "2022-09-04T14:40:02.395135Z",
"structure_string": "Li7 Sb1 O6\n1.0\n5.422922 0.000000 0.000000\n2.655155 4.785320 0.000000\n2.553610 1.583944 5.073701\nLi Sb O\n7 1 6\ndirect\n0.104613 0.739810 0.620592 Li\n0.476086 0.143932 0.618538 Li\n0.348247 0.345763 0.992946 Li\n0.623490 0.641016 0.051339 Li\n0.498245 0.901450 0.367050 Li\n0.912259 0.239921 0.355218 Li\n0.792301 0.499637 0.625344 Li\n0.004764 0.986383 0.006406 Sb\n0.087036 0.362817 0.791760 O\n0.234801 0.917449 0.235102 O\n0.633825 0.217981 0.231753 O\n0.380546 0.765869 0.766235 O\n0.783345 0.094531 0.747475 O\n0.891343 0.632439 0.232942 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Sb",
"O"
],
"chemical_system": "Li-O-Sb",
"density": 3.359091423483815,
"density_atomic": 0.10633073670639702,
"volume": 131.66465721625852,
"volume_molar": 5.663593563381847,
"formula_full": "Li7 Sb1 O6",
"formula_reduced": "Li7SbO6",
"formula_anonymous": "AB6C7",
"energy": -77.4218415,
"energy_per_atom": -5.530131535714285,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -73.2998415,
"band_gap": 3.4465000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.718000Z",
"spacegroup": 1
},
{
"id": "mp-782820",
"created_at": "2022-09-04T14:40:02.383889Z",
"structure_string": "Li10 Mn12 B12 O36\n1.0\n8.834752 0.000000 0.000000\n-2.808906 8.422696 0.000000\n-1.581158 -2.100671 10.097793\nLi Mn B O\n10 12 12 36\ndirect\n0.810299 0.097670 0.795391 Li\n0.466023 0.488765 0.768872 Li\n0.224157 0.234811 0.519987 Li\n0.832246 0.541289 0.554437 Li\n0.561639 0.839532 0.544667 Li\n0.591253 0.292068 0.309156 Li\n0.973747 0.985366 0.272807 Li\n0.343527 0.048357 0.065301 Li\n0.066881 0.348455 0.044811 Li\n0.718299 0.741701 0.020634 Li\n0.185692 0.164339 0.824862 Mn\n0.837756 0.484546 0.841084 Mn\n0.471254 0.851236 0.837639 Mn\n0.587067 0.224039 0.595818 Mn\n0.216256 0.601358 0.588552 Mn\n0.935707 0.923437 0.574275 Mn\n0.340088 0.952357 0.350403 Mn\n0.992507 0.350344 0.332165 Mn\n0.681738 0.679307 0.315771 Mn\n0.089499 0.729450 0.087082 Mn\n0.727490 0.106772 0.085469 Mn\n0.435277 0.429584 0.070857 Mn\n0.540432 0.210308 0.873127 B\n0.209417 0.532066 0.867557 B\n0.738493 0.749889 0.747663 B\n0.965535 0.293310 0.627259 B\n0.287168 0.949714 0.615922 B\n0.500020 0.500193 0.502179 B\n0.047926 0.711813 0.384574 B\n0.710340 0.042040 0.371911 B\n0.250304 0.232837 0.251151 B\n0.794887 0.465897 0.125321 B\n0.460753 0.801541 0.126138 B\n0.996639 0.007561 0.007415 B\n0.999672 0.126069 0.931533 O\n0.422357 0.200191 0.948353 O\n0.090519 0.532638 0.939672 O\n0.295843 0.428553 0.881384 O\n0.626799 0.103537 0.876911 O\n0.573886 0.324635 0.793315 O\n0.248983 0.639177 0.781810 O\n0.626799 0.717710 0.830809 O\n0.052798 0.190013 0.631506 O\n0.836856 0.277978 0.691330 O\n0.173876 0.954625 0.688870 O\n0.827425 0.650466 0.725636 O\n0.328086 0.058919 0.530281 O\n0.755654 0.882342 0.685132 O\n0.367733 0.836501 0.621930 O\n0.376477 0.464059 0.574947 O\n0.003348 0.417581 0.554258 O\n0.577687 0.016741 0.436812 O\n0.595827 0.401114 0.488612 O\n0.139324 0.610942 0.402651 O\n0.532393 0.633828 0.445915 O\n0.134251 0.204443 0.330943 O\n0.915407 0.698483 0.442201 O\n0.095117 0.829100 0.307716 O\n0.745377 0.165884 0.302847 O\n0.359932 0.148114 0.254673 O\n0.802123 0.942655 0.382246 O\n0.252926 0.341118 0.168862 O\n0.668939 0.451709 0.193449 O\n0.339553 0.796392 0.198867 O\n0.543825 0.693905 0.130051 O\n0.885348 0.362839 0.134354 O\n0.111292 0.933180 0.010337 O\n0.831755 0.582534 0.047631 O\n0.491151 0.915592 0.047181 O\n0.876254 0.966720 0.082637 O\n",
"nsites": 70,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.169862612273143,
"density_atomic": 0.09315927229907174,
"volume": 751.4013181133178,
"volume_molar": 6.4643492927541955,
"formula_full": "Li10 Mn12 B12 O36",
"formula_reduced": "Li5Mn6(BO3)6",
"formula_anonymous": "A5B6C6D18",
"energy": -560.54727145,
"energy_per_atom": -8.007818163571429,
"energy_above_hull": null,
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"formation_energy": null,
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"band_gap": 0.4107999999999998,
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"updated_at": "2021-11-28T01:34:43.996000Z",
"spacegroup": 1
},
{
"id": "mp-1367903",
"created_at": "2022-09-04T14:40:02.452377Z",
"structure_string": "Li12 V4 O12 F4\n1.0\n7.201499 0.000000 0.000000\n-2.401045 6.801694 0.000000\n-2.348202 -3.431192 5.914423\nLi V O F\n12 4 12 4\ndirect\n0.484956 0.984282 0.259895 Li\n0.509233 0.516164 0.748017 Li\n0.488446 0.753261 0.004662 Li\n0.265922 0.751598 0.730405 Li\n0.006825 0.736305 0.503674 Li\n0.754920 0.256129 0.740545 Li\n0.007132 0.488574 0.270087 Li\n0.247575 0.508703 0.493992 Li\n0.748514 0.000756 0.503245 Li\n0.764624 0.506904 0.997471 Li\n0.257575 0.262032 0.251747 Li\n0.510254 0.246558 0.493897 Li\n0.721920 0.741282 0.258892 V\n0.980573 0.256806 0.000164 V\n0.244021 0.976919 0.999627 V\n0.979075 0.000023 0.740527 V\n0.524167 0.755562 0.486189 O\n0.241498 0.762287 0.237404 O\n0.215510 0.222443 0.775801 O\n0.754505 0.998840 0.001570 O\n0.001474 0.996756 0.221881 O\n0.005842 0.485078 0.763504 O\n0.530543 0.518325 0.246749 O\n0.475132 0.005705 0.768463 O\n0.776337 0.246889 0.234200 O\n0.774408 0.765979 0.753853 O\n0.006549 0.237845 0.513253 O\n0.996540 0.767215 0.997914 O\n0.250112 0.493931 0.997076 F\n0.484159 0.246675 0.003676 F\n0.742055 0.502302 0.503857 F\n0.249600 0.007874 0.497762 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.1814452685426455,
"density_atomic": 0.11045810845943632,
"volume": 289.70258902949985,
"volume_molar": 5.451968030225249,
"formula_full": "Li12 V4 O12 F4",
"formula_reduced": "Li3VO3F",
"formula_anonymous": "ABC3D3",
"energy": -116.93573386,
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"energy_uncorrected": -100.04373386,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.058000Z",
"spacegroup": 1
},
{
"id": "mp-1223552",
"created_at": "2022-09-04T14:40:03.071035Z",
"structure_string": "K1 Na1 Ca1 Mg5 Si8 O24\n1.0\n-0.015984 -0.000077 5.319597\n-9.852017 -0.000885 2.624919\n4.925212 -9.150491 -1.312305\nK Na Ca Mg Si O\n1 1 1 5 8 24\ndirect\n0.968944 0.515508 0.002524 K\n0.500041 0.723306 0.446827 Na\n0.500295 0.278595 0.558341 Ca\n0.500435 0.906064 0.811676 Mg\n0.500444 0.092956 0.185667 Mg\n0.999125 0.999568 0.998727 Mg\n0.000120 0.818741 0.636626 Mg\n0.999949 0.178339 0.356138 Mg\n0.701541 0.187710 0.830147 Si\n0.700442 0.357654 0.170026 Si\n0.299776 0.813109 0.170227 Si\n0.298717 0.643112 0.829939 Si\n0.193341 0.112978 0.656576 Si\n0.195169 0.455024 0.342727 Si\n0.804984 0.888424 0.343463 Si\n0.806844 0.543900 0.655970 Si\n0.407759 0.221748 0.763867 O\n0.404843 0.451771 0.232501 O\n0.596021 0.780881 0.231970 O\n0.593154 0.542945 0.764375 O\n0.270091 0.949669 0.658746 O\n0.276346 0.290436 0.347004 O\n0.723434 0.056957 0.347273 O\n0.729788 0.709400 0.658329 O\n0.314983 0.086955 0.999894 O\n0.685993 0.912028 0.999944 O\n0.786604 0.021461 0.824309 O\n0.787074 0.196362 0.175649 O\n0.212790 0.980008 0.175955 O\n0.213343 0.803339 0.823900 O\n0.201851 0.122802 0.508947 O\n0.198015 0.606745 0.495531 O\n0.801322 0.888625 0.495478 O\n0.797801 0.386235 0.509082 O\n0.898389 0.213758 0.737713 O\n0.905865 0.469090 0.258380 O\n0.093477 0.789731 0.257791 O\n0.100857 0.525196 0.738388 O\n0.701468 0.327980 0.999692 O\n0.301564 0.672188 0.999683 O\n",
"nsites": 40,
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"elements": [
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"Ca",
"Mg",
"Si",
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],
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"density": 2.8842917527667042,
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"volume": 479.2051315595739,
"volume_molar": 7.2146018879151805,
"formula_full": "K1 Na1 Ca1 Mg5 Si8 O24",
"formula_reduced": "KNaCaMg5(SiO3)8",
"formula_anonymous": "ABCD5E8F24",
"energy": -297.88881289,
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"updated_at": "2021-11-28T01:34:45.609000Z",
"spacegroup": 1
},
{
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