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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11551",
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"results": [
{
"id": "mp-753476",
"created_at": "2022-09-04T14:46:09.959181Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n-3.425347 5.077530 0.127028\n1.713731 -0.125099 7.291017\n5.771888 5.159409 0.075071\nLi Mn P O\n2 4 4 16\ndirect\n0.183308 0.981922 0.502088 Li\n0.683284 0.981909 0.002129 Li\n0.854986 0.630813 0.884079 Mn\n0.625015 0.400941 0.601959 Mn\n0.354974 0.630616 0.384167 Mn\n0.125078 0.401116 0.101976 Mn\n0.912305 0.730508 0.266673 P\n0.412345 0.730502 0.766677 P\n0.092798 0.265484 0.735485 P\n0.592830 0.265508 0.235445 P\n0.082526 0.581084 0.261231 O\n0.582500 0.581077 0.761255 O\n0.300015 0.384742 0.603014 O\n0.800024 0.384767 0.103005 O\n0.351050 0.789011 0.581496 O\n0.851042 0.789019 0.081479 O\n0.029354 0.880140 0.342412 O\n0.529380 0.880152 0.842411 O\n0.038875 0.079943 0.688860 O\n0.538885 0.079950 0.188878 O\n0.646400 0.243413 0.429803 O\n0.146403 0.243423 0.929802 O\n0.694619 0.626235 0.390260 O\n0.194610 0.626282 0.890226 O\n0.898174 0.384687 0.716800 O\n0.398162 0.384699 0.216816 O\n",
"nsites": 26,
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"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9691145274590123,
"density_atomic": 0.07577444061831251,
"volume": 343.12361513780075,
"volume_molar": 7.947456570922704,
"formula_full": "Li2 Mn4 P4 O16",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -205.64423295,
"energy_per_atom": -7.909393575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.98023295,
"band_gap": 0.8097,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.981000Z",
"spacegroup": 1
},
{
"id": "mp-1666747",
"created_at": "2022-09-04T14:46:09.895870Z",
"structure_string": "Na10 Fe4 P4 C4 O28\n1.0\n0.057416 5.289030 0.009297\n0.106586 0.012543 6.628711\n18.014224 0.112605 0.288726\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.775115 0.234361 0.046063 Na\n0.766750 0.227108 0.544844 Na\n0.245096 0.485129 0.134300 Na\n0.246947 0.513500 0.627930 Na\n0.751996 0.486474 0.372711 Na\n0.745785 0.505932 0.867483 Na\n0.751105 0.996616 0.369662 Na\n0.747206 0.978606 0.864465 Na\n0.246123 0.763512 0.462975 Na\n0.242230 0.757193 0.964442 Na\n0.777507 0.764109 0.671384 Fe\n0.216134 0.244465 0.824186 Fe\n0.782640 0.767004 0.173574 Fe\n0.225329 0.244864 0.324661 Fe\n0.706131 0.256674 0.208858 P\n0.715525 0.257914 0.711688 P\n0.279915 0.745133 0.288388 P\n0.283937 0.744335 0.792456 P\n0.727821 0.747335 0.032865 C\n0.727021 0.744016 0.526930 C\n0.277362 0.252922 0.469281 C\n0.278807 0.255217 0.964090 C\n0.316080 0.292443 0.031171 O\n0.303598 0.287927 0.537700 O\n0.950431 0.757104 0.062771 O\n0.947979 0.751106 0.557582 O\n0.534067 0.750514 0.078281 O\n0.526782 0.746773 0.569425 O\n0.773198 0.066110 0.162200 O\n0.762440 0.071072 0.666400 O\n0.789647 0.442715 0.157696 O\n0.781490 0.444891 0.662952 O\n0.120362 0.739888 0.216933 O\n0.143578 0.738530 0.719842 O\n0.418785 0.269377 0.222755 O\n0.430900 0.270991 0.738077 O\n0.568467 0.748220 0.264605 O\n0.575920 0.747376 0.781574 O\n0.847943 0.250799 0.282919 O\n0.869868 0.251401 0.785919 O\n0.229921 0.558253 0.339976 O\n0.211680 0.557148 0.845849 O\n0.219055 0.930238 0.335347 O\n0.204533 0.933219 0.839896 O\n0.475872 0.232152 0.424743 O\n0.467473 0.235241 0.915503 O\n0.052721 0.236275 0.439648 O\n0.051372 0.235575 0.936574 O\n0.707636 0.738079 0.455012 O\n0.702559 0.739246 0.961936 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 2.8226122427703983,
"density_atomic": 0.07919394421794515,
"volume": 631.3614064024623,
"volume_molar": 7.604294519574387,
"formula_full": "Na10 Fe4 P4 C4 O28",
"formula_reduced": "Na5Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D5E14",
"energy": -356.9088607,
"energy_per_atom": -7.138177214,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -328.6488607,
"band_gap": 1.1586,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0008954,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.322000Z",
"spacegroup": 1
},
{
"id": "mp-1176021",
"created_at": "2022-09-04T14:46:09.898660Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.113301 0.000000 0.000000\n1.577400 5.665682 0.000000\n2.474095 2.205577 9.936033\nLi Mn Co O\n9 2 5 16\ndirect\n0.498015 0.804115 0.135498 Li\n0.499623 0.307167 0.131860 Li\n0.503165 0.448334 0.369860 Li\n0.503717 0.932546 0.374126 Li\n0.498400 0.062954 0.619161 Li\n0.496102 0.569559 0.619783 Li\n0.499739 0.692812 0.875429 Li\n0.501424 0.181590 0.877436 Li\n0.996915 0.627820 0.250115 Li\n0.005554 0.993659 0.002013 Mn\n0.996650 0.876186 0.749991 Mn\n0.999991 0.498807 0.003133 Co\n0.999179 0.121482 0.249496 Co\n0.004807 0.260860 0.488482 Co\n0.994774 0.750171 0.493316 Co\n0.000888 0.376412 0.748863 Co\n0.239447 0.141823 0.058685 O\n0.218125 0.672935 0.052639 O\n0.234701 0.794073 0.318019 O\n0.235097 0.271468 0.320842 O\n0.225396 0.406940 0.576577 O\n0.219457 0.901950 0.574600 O\n0.227319 0.018996 0.818123 O\n0.208456 0.546547 0.815443 O\n0.775801 0.461114 0.173100 O\n0.774422 0.981289 0.174274 O\n0.761606 0.090570 0.435910 O\n0.761886 0.589156 0.446616 O\n0.764627 0.727474 0.693883 O\n0.788006 0.202224 0.689864 O\n0.795072 0.328605 0.932403 O\n0.771638 0.860366 0.930461 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.170822385295402,
"density_atomic": 0.1111689232790713,
"volume": 287.85022878803335,
"volume_molar": 5.4171081111241906,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.55171684,
"energy_per_atom": -6.51724115125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.03371684,
"band_gap": 0.5108999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.456000Z",
"spacegroup": 1
},
{
"id": "mp-1174645",
"created_at": "2022-09-04T14:46:10.024285Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.002513 0.000000 0.000000\n-0.962429 5.083508 0.000000\n-1.641457 -1.913801 9.894663\nLi Mn Co O\n8 2 4 14\ndirect\n0.715570 0.430409 0.920109 Li\n0.290222 0.574828 0.074997 Li\n0.853584 0.716616 0.222300 Li\n0.577869 0.134768 0.635591 Li\n0.131579 0.278018 0.772752 Li\n0.428515 0.858552 0.361797 Li\n0.999464 0.999364 0.507161 Li\n0.854159 0.713406 0.711689 Li\n0.000392 0.992944 0.998281 Mn\n0.428331 0.853320 0.854150 Mn\n0.569860 0.140854 0.142120 Co\n0.148185 0.291544 0.289098 Co\n0.717684 0.435587 0.435457 Co\n0.291463 0.581670 0.577090 Co\n0.785319 0.061911 0.837266 O\n0.356082 0.181905 0.970977 O\n0.919066 0.314165 0.103118 O\n0.625043 0.766422 0.533412 O\n0.240667 0.926289 0.692903 O\n0.487183 0.484917 0.251212 O\n0.061487 0.626430 0.391507 O\n0.654417 0.792072 0.023067 O\n0.216269 0.945159 0.168465 O\n0.779737 0.087561 0.305348 O\n0.482562 0.531683 0.759775 O\n0.090134 0.680667 0.901395 O\n0.358046 0.231567 0.461218 O\n0.937110 0.367370 0.597746 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.125395886588433,
"density_atomic": 0.1112769687795035,
"volume": 251.62439548009525,
"volume_molar": 5.411848315110861,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -183.11204897,
"energy_per_atom": -6.539716034642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.60604897,
"band_gap": 0.7468999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0029317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.661000Z",
"spacegroup": 1
},
{
"id": "mp-1220567",
"created_at": "2022-09-04T14:46:09.998025Z",
"structure_string": "Ni4 Mo32 P12\n1.0\n4.803879 0.000000 0.000000\n2.385310 6.953445 0.000000\n2.244079 0.258489 20.741967\nNi Mo P\n4 32 12\ndirect\n0.441502 0.902998 0.162563 Ni\n0.787148 0.893928 0.494685 Ni\n0.122278 0.893018 0.827908 Ni\n0.843632 0.093580 0.170252 Ni\n0.049172 0.688234 0.164822 Mo\n0.386796 0.683203 0.497959 Mo\n0.720261 0.683609 0.831360 Mo\n0.236891 0.311123 0.168607 Mo\n0.583107 0.308378 0.501908 Mo\n0.913414 0.309409 0.835765 Mo\n0.720537 0.494615 0.105890 Mo\n0.048995 0.496671 0.438071 Mo\n0.384748 0.496033 0.771516 Mo\n0.653920 0.505318 0.227852 Mo\n0.984169 0.504899 0.561732 Mo\n0.314223 0.505797 0.894815 Mo\n0.680816 0.860378 0.280918 Mo\n0.009065 0.859131 0.616117 Mo\n0.339625 0.859141 0.950053 Mo\n0.153675 0.137213 0.053110 Mo\n0.482774 0.143156 0.382452 Mo\n0.815706 0.140777 0.717541 Mo\n0.804484 0.848553 0.048896 Mo\n0.138156 0.852579 0.380495 Mo\n0.471673 0.851945 0.714170 Mo\n0.034555 0.151474 0.284354 Mo\n0.357457 0.154019 0.621971 Mo\n0.689987 0.155117 0.956815 Mo\n0.188626 0.086249 0.504187 Mo\n0.521956 0.085854 0.838603 Mo\n0.253039 0.489740 0.031036 Mo\n0.580820 0.494992 0.366016 Mo\n0.918464 0.494706 0.698557 Mo\n0.109222 0.508642 0.301280 Mo\n0.441261 0.512576 0.633354 Mo\n0.770067 0.514578 0.966815 Mo\n0.227825 0.801683 0.258419 P\n0.555975 0.809264 0.589334 P\n0.885686 0.812091 0.922945 P\n0.620311 0.197022 0.076569 P\n0.946462 0.201845 0.404715 P\n0.277217 0.202043 0.739998 P\n0.334863 0.781567 0.068719 P\n0.666309 0.788255 0.401841 P\n0.000248 0.786153 0.735593 P\n0.520164 0.215468 0.264187 P\n0.840416 0.216425 0.600397 P\n0.172306 0.216553 0.934841 P\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ni",
"Mo",
"P"
],
"chemical_system": "Mo-Ni-P",
"density": 8.81142647664347,
"density_atomic": 0.06927861785480544,
"volume": 692.8544691898834,
"volume_molar": 8.692639874284502,
"formula_full": "Ni4 Mo32 P12",
"formula_reduced": "NiMo8P3",
"formula_anonymous": "AB3C8",
"energy": -451.85773311,
"energy_per_atom": -9.413702773125001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -451.85773311,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.431000Z",
"spacegroup": 1
},
{
"id": "mp-1174700",
"created_at": "2022-09-04T14:46:10.047457Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.123948 0.000000 0.000000\n1.644656 5.570450 0.000000\n1.654920 1.017100 7.504532\nLi Mn Co O\n7 2 3 12\ndirect\n0.493220 0.675735 0.817813 Li\n0.489425 0.505645 0.505049 Li\n0.502633 0.330487 0.176095 Li\n0.500517 0.166038 0.822370 Li\n0.495202 0.991538 0.508130 Li\n0.509907 0.830873 0.170787 Li\n0.000943 0.831134 0.666353 Li\n0.001823 0.999320 0.996809 Mn\n0.003860 0.501720 0.997145 Mn\n0.000726 0.671514 0.344820 Co\n0.003026 0.339544 0.660967 Co\n0.988067 0.162172 0.350507 Co\n0.227247 0.493696 0.766366 O\n0.240051 0.332815 0.419714 O\n0.216829 0.176612 0.080964 O\n0.222164 0.014362 0.764055 O\n0.238036 0.831640 0.401301 O\n0.224901 0.676711 0.071245 O\n0.779390 0.822629 0.928536 O\n0.760519 0.649371 0.580767 O\n0.786759 0.501411 0.237872 O\n0.778310 0.323641 0.925743 O\n0.761277 0.173451 0.571015 O\n0.775169 0.997941 0.235578 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.087441854585692,
"density_atomic": 0.11204503944189237,
"volume": 214.1995765233911,
"volume_molar": 5.374750002317719,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.59651072,
"energy_per_atom": -6.56652128,
"energy_above_hull": null,
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"energy_uncorrected": -141.10251072,
"band_gap": 0.9017,
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"is_magnetic": true,
"total_magnetization": 18.0002583,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.334000Z",
"spacegroup": 1
},
{
"id": "mp-1234073",
"created_at": "2022-09-04T14:46:10.145616Z",
"structure_string": "Cs2 Tm2 Mg1 W4 O16\n1.0\n4.495096 5.579915 -3.670990\n4.311799 -5.309715 -3.484775\n0.176727 0.133589 -7.628519\nCs Tm Mg W O\n2 2 1 4 16\ndirect\n0.891956 0.126247 0.754016 Cs\n0.189413 0.793711 0.249909 Cs\n0.206006 0.760863 0.754515 Tm\n0.790007 0.237600 0.237696 Tm\n0.626696 0.361965 0.743186 Mg\n0.296101 0.312281 0.695476 W\n0.692724 0.699512 0.299354 W\n0.679339 0.712577 0.805108 W\n0.303703 0.303150 0.201057 W\n0.358081 0.235737 0.951042 O\n0.611851 0.740552 0.066157 O\n0.750703 0.639953 0.556301 O\n0.273851 0.386473 0.411969 O\n0.678004 0.966129 0.614470 O\n0.301129 0.046180 0.393823 O\n0.055469 0.364565 0.876121 O\n0.934389 0.672556 0.104767 O\n0.402670 0.623395 0.546280 O\n0.609152 0.367345 0.478857 O\n0.383635 0.606570 0.940642 O\n0.616806 0.386641 0.013888 O\n0.251967 0.042547 0.770667 O\n0.726601 0.975915 0.224091 O\n0.938190 0.743881 0.723750 O\n0.048222 0.276988 0.274358 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Cs",
"Tm",
"Mg",
"W",
"O"
],
"chemical_system": "Cs-Mg-O-Tm-W",
"density": 7.496216748636966,
"density_atomic": 0.06969416480094179,
"volume": 358.71008816023823,
"volume_molar": 8.640810571731857,
"formula_full": "Cs2 Tm2 Mg1 W4 O16",
"formula_reduced": "Cs2Tm2Mg(WO4)4",
"formula_anonymous": "AB2C2D4E16",
"energy": -206.86102215000005,
"energy_per_atom": -8.274440886000002,
"energy_above_hull": null,
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"energy_uncorrected": -178.11702215,
"band_gap": 2.1167,
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"updated_at": "2021-11-28T01:37:16.902000Z",
"spacegroup": 1
},
{
"id": "mp-705551",
"created_at": "2022-09-04T14:46:10.078341Z",
"structure_string": "Fe15 O16\n1.0\n6.247103 0.000000 0.000000\n-0.009577 6.265315 0.000000\n-0.068644 -0.057780 8.767779\nFe O\n15 16\ndirect\n0.680595 0.259708 0.263576 Fe\n0.039511 0.212102 0.127048 Fe\n0.489943 0.496484 0.502989 Fe\n0.989648 0.568874 0.991604 Fe\n0.752016 0.753991 0.250546 Fe\n0.248296 0.761635 0.750748 Fe\n0.506146 0.996569 0.002994 Fe\n0.489792 0.999855 0.496907 Fe\n0.002212 0.006901 0.499087 Fe\n0.245429 0.249432 0.752003 Fe\n0.756875 0.246353 0.756234 Fe\n0.001082 0.495199 0.493502 Fe\n0.498516 0.501705 0.997699 Fe\n0.755845 0.760990 0.748065 Fe\n0.256327 0.747233 0.251720 Fe\n0.998377 0.487735 0.233661 O\n0.740829 0.725998 0.500778 O\n0.006315 0.967595 0.254002 O\n0.499799 0.014249 0.741923 O\n0.755433 0.248286 0.491158 O\n0.285997 0.250558 0.997660 O\n0.752148 0.264497 0.016053 O\n0.504123 0.528702 0.235693 O\n0.516550 0.503755 0.764054 O\n0.270571 0.730560 0.992159 O\n0.238838 0.750082 0.509165 O\n0.716010 0.741499 0.998341 O\n0.506240 0.991991 0.256993 O\n0.988279 0.996834 0.740895 O\n0.252908 0.267497 0.509650 O\n0.001683 0.491301 0.762823 O\n",
"nsites": 31,
"nelements": 2,
"elements": [
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