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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=11498",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=11496",
"results": [
{
"id": "mp-1047819",
"created_at": "2022-09-04T14:40:27.241390Z",
"structure_string": "Ba2 Ca3 Ti4 Tl2 O12\n1.0\n-1.964983 1.964983 22.978156\n1.964983 -1.964983 22.978156\n1.964983 1.964983 -22.978156\nBa Ca Ti Tl O\n2 3 4 2 12\ndirect\n0.172577 0.172577 0.000000 Ba\n0.827423 0.827423 0.000000 Ba\n0.074744 0.074744 0.000000 Ca\n0.925256 0.925256 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.531293 0.531293 0.000000 Ti\n0.385521 0.385521 0.000000 Ti\n0.614479 0.614479 0.000000 Ti\n0.468707 0.468707 0.000000 Ti\n0.724688 0.724688 0.000000 Tl\n0.275312 0.275312 0.000000 Tl\n0.895114 0.395114 0.500000 O\n0.035298 0.535298 0.500000 O\n0.225109 0.225109 0.000000 O\n0.464702 0.964702 0.500000 O\n0.774891 0.774891 0.000000 O\n0.604886 0.104886 0.500000 O\n0.104886 0.604886 0.500000 O\n0.346890 0.346890 0.000000 O\n0.395114 0.895114 0.500000 O\n0.535298 0.035298 0.500000 O\n0.964702 0.464702 0.500000 O\n0.653110 0.653110 0.000000 O\n",
"nsites": 23,
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"elements": [
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"Ti",
"Tl",
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],
"chemical_system": "Ba-Ca-O-Ti-Tl",
"density": 5.5545550670034345,
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"volume": 354.88918094855325,
"volume_molar": 9.29214174727521,
"formula_full": "Ba2 Ca3 Ti4 Tl2 O12",
"formula_reduced": "Ba2Ca3Ti4Tl2O12",
"formula_anonymous": "A2B2C3D4E12",
"energy": -170.85360229,
"energy_per_atom": -7.428417490869565,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:57.815000Z",
"spacegroup": 139
},
{
"id": "mp-1235060",
"created_at": "2022-09-04T14:40:27.245365Z",
"structure_string": "Li1 Mn6 O5 F7\n1.0\n-4.567854 4.567901 3.178338\n0.357276 4.940579 -3.201452\n-4.940516 -0.357274 -3.201441\nLi Mn O F\n1 6 5 7\ndirect\n0.833342 0.941289 0.392053 Li\n0.833335 0.620734 0.712592 Mn\n0.674596 0.366347 0.322464 Mn\n0.333330 0.700073 0.633256 Mn\n0.167169 0.309200 0.314358 Mn\n0.499494 0.018984 0.024129 Mn\n0.992064 0.010878 0.966987 Mn\n0.637226 0.571453 0.566099 O\n0.962455 0.208351 0.234456 O\n0.704213 0.098873 0.124986 O\n0.029438 0.767234 0.761875 O\n0.333333 0.994841 0.338490 O\n0.664631 0.005198 0.680520 F\n0.333333 0.376549 0.956788 F\n0.296211 0.922276 0.899971 F\n0.370460 0.433360 0.411060 F\n0.656900 0.642086 0.036367 F\n0.009771 0.296965 0.691246 F\n0.002031 0.652810 0.328133 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.9313517075862157,
"density_atomic": 0.08185310630711051,
"volume": 232.12313933099307,
"volume_molar": 7.357253782654381,
"formula_full": "Li1 Mn6 O5 F7",
"formula_reduced": "LiMn6O5F7",
"formula_anonymous": "AB5C6D7",
"energy": -140.58785793,
"energy_per_atom": -7.399360943684211,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -123.91085793,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:01.766000Z",
"spacegroup": 5
},
{
"id": "mp-1188047",
"created_at": "2022-09-04T14:40:27.246700Z",
"structure_string": "Y6 Pu2\n1.0\n3.600325 -6.235946 0.000000\n3.600325 6.235946 0.000000\n0.000000 0.000000 5.481661\nY Pu\n6 2\ndirect\n0.168358 0.336715 0.250000 Y\n0.663285 0.831642 0.250000 Y\n0.168358 0.831642 0.250000 Y\n0.831642 0.663285 0.750000 Y\n0.336715 0.168358 0.750000 Y\n0.831642 0.168358 0.750000 Y\n0.333333 0.666667 0.750000 Pu\n0.666667 0.333333 0.250000 Pu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Pu"
],
"chemical_system": "Pu-Y",
"density": 6.89086359885612,
"density_atomic": 0.0325015269709157,
"volume": 246.14228147369434,
"volume_molar": 18.52879332527659,
"formula_full": "Y6 Pu2",
"formula_reduced": "Y3Pu",
"formula_anonymous": "AB3",
"energy": -66.30867696,
"energy_per_atom": -8.28858462,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -66.30867696,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 12.4006247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.935000Z",
"spacegroup": 194
},
{
"id": "mp-1194359",
"created_at": "2022-09-04T14:40:22.035807Z",
"structure_string": "U8 Mn1 Se17\n1.0\n4.380984 6.951523 0.000000\n-4.380984 6.951523 0.000000\n0.000000 2.218512 10.656583\nU Mn Se\n8 1 17\ndirect\n0.818114 0.303683 0.299091 U\n0.303683 0.818114 0.299091 U\n0.181886 0.696317 0.700909 U\n0.696317 0.181886 0.700909 U\n0.201879 0.201879 0.541642 U\n0.798121 0.798121 0.458358 U\n0.679462 0.679462 0.986682 U\n0.320538 0.320538 0.013318 U\n0.000000 0.000000 0.000000 Mn\n0.819382 0.434523 0.535730 Se\n0.434523 0.819382 0.535730 Se\n0.180618 0.565477 0.464270 Se\n0.565477 0.180618 0.464270 Se\n0.945291 0.324943 0.029013 Se\n0.324943 0.945291 0.029013 Se\n0.054709 0.675057 0.970987 Se\n0.675057 0.054709 0.970987 Se\n0.213645 0.213645 0.276530 Se\n0.786355 0.786355 0.723470 Se\n0.056934 0.056934 0.771986 Se\n0.943066 0.943066 0.228014 Se\n0.299901 0.299901 0.754599 Se\n0.700099 0.700099 0.245401 Se\n0.520754 0.520754 0.830116 Se\n0.479246 0.479246 0.169884 Se\n0.000000 0.000000 0.500000 Se\n",
"nsites": 26,
"nelements": 3,
"elements": [
"U",
"Mn",
"Se"
],
"chemical_system": "Mn-Se-U",
"density": 8.446161789182035,
"density_atomic": 0.04005656916785258,
"volume": 649.0820492151962,
"volume_molar": 15.034090250627534,
"formula_full": "U8 Mn1 Se17",
"formula_reduced": "U8MnSe17",
"formula_anonymous": "AB8C17",
"energy": -194.51349551,
"energy_per_atom": -7.481288288846154,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -186.48949551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.6602738,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.604000Z",
"spacegroup": 12
},
{
"id": "mp-647374",
"created_at": "2022-09-04T14:40:22.009671Z",
"structure_string": "Sb4 Pb4 O14\n1.0\n0.000000 5.370154 5.370154\n5.370154 0.000000 5.370154\n5.370154 5.370154 0.000000\nSb Pb O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Sb\n0.625000 0.125000 0.625000 Sb\n0.625000 0.625000 0.625000 Sb\n0.125000 0.625000 0.625000 Sb\n0.125000 0.625000 0.125000 Pb\n0.625000 0.125000 0.125000 Pb\n0.125000 0.125000 0.625000 Pb\n0.125000 0.125000 0.125000 Pb\n0.973458 0.526542 0.973458 O\n0.276542 0.723458 0.723458 O\n0.526542 0.973458 0.973458 O\n0.526542 0.973458 0.526542 O\n0.526542 0.526542 0.973458 O\n0.276542 0.723458 0.276542 O\n0.500000 0.500000 0.500000 O\n0.973458 0.526542 0.526542 O\n0.276542 0.276542 0.723458 O\n0.723458 0.276542 0.276542 O\n0.750000 0.750000 0.750000 O\n0.723458 0.723458 0.276542 O\n0.723458 0.276542 0.723458 O\n0.973458 0.973458 0.526542 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sb",
"density": 8.255285723427296,
"density_atomic": 0.07102847080608772,
"volume": 309.7349520597369,
"volume_molar": 8.478488543616306,
"formula_full": "Sb4 Pb4 O14",
"formula_reduced": "Sb2Pb2O7",
"formula_anonymous": "A2B2C7",
"energy": -130.95497628,
"energy_per_atom": -5.952498921818182,
"energy_above_hull": null,
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"total_magnetization": 0.000243,
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"updated_at": "2021-11-28T01:34:50.681000Z",
"spacegroup": 227
},
{
"id": "mp-1022603",
"created_at": "2022-09-04T14:40:27.259479Z",
"structure_string": "Y2 Hf2 Mg12\n1.0\n5.186518 0.000000 0.000000\n0.000000 6.527247 0.000000\n0.000000 0.000000 11.336484\nY Hf Mg\n2 2 12\ndirect\n0.000000 0.500000 0.331651 Y\n0.000000 0.000000 0.831651 Y\n0.500000 0.500000 0.163939 Hf\n0.500000 0.000000 0.663939 Hf\n0.000000 0.742583 0.084891 Mg\n0.000000 0.257417 0.084891 Mg\n0.000000 0.000000 0.335035 Mg\n0.500000 0.247882 0.417346 Mg\n0.500000 0.752118 0.417346 Mg\n0.500000 0.000000 0.164901 Mg\n0.000000 0.242583 0.584891 Mg\n0.000000 0.757417 0.584891 Mg\n0.000000 0.500000 0.835035 Mg\n0.500000 0.747882 0.917346 Mg\n0.500000 0.252118 0.917346 Mg\n0.500000 0.500000 0.664901 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg-Y",
"density": 3.575874420663423,
"density_atomic": 0.04169036203085634,
"volume": 383.781747641287,
"volume_molar": 14.444923158841426,
"formula_full": "Y2 Hf2 Mg12",
"formula_reduced": "YHfMg6",
"formula_anonymous": "ABC6",
"energy": -50.52306633,
"energy_per_atom": -3.157691645625,
"energy_above_hull": null,
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"energy_uncorrected": -50.52306633,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:01.069000Z",
"spacegroup": 38
},
{
"id": "mp-772710",
"created_at": "2022-09-04T14:40:27.263859Z",
"structure_string": "Li8 Ti4 Nb12 O32\n1.0\n8.656249 0.000000 0.000000\n0.015450 8.662610 0.000000\n0.128979 0.056804 8.664686\nLi Ti Nb O\n8 4 12 32\ndirect\n0.006183 0.010100 0.015269 Li\n0.235756 0.238240 0.236568 Li\n0.758568 0.752144 0.252230 Li\n0.991558 0.507129 0.479695 Li\n0.488268 0.986782 0.499103 Li\n0.252113 0.760997 0.749807 Li\n0.753002 0.251022 0.761601 Li\n0.507379 0.487897 0.000627 Li\n0.883571 0.383551 0.114027 Ti\n0.124437 0.879498 0.389551 Ti\n0.623427 0.618474 0.624416 Ti\n0.375001 0.135310 0.868896 Ti\n0.134033 0.635021 0.114750 Nb\n0.366307 0.865310 0.116977 Nb\n0.628265 0.121635 0.130963 Nb\n0.384627 0.599900 0.386806 Nb\n0.600996 0.380109 0.389561 Nb\n0.866533 0.129481 0.375650 Nb\n0.373968 0.373259 0.620302 Nb\n0.129735 0.144864 0.636506 Nb\n0.865192 0.868082 0.644131 Nb\n0.138177 0.364852 0.850435 Nb\n0.864750 0.645724 0.864009 Nb\n0.645398 0.862764 0.867430 Nb\n0.108853 0.387179 0.108779 O\n0.886763 0.613394 0.114050 O\n0.619460 0.884357 0.118826 O\n0.127120 0.874952 0.147679 O\n0.385762 0.111928 0.107760 O\n0.377328 0.625070 0.139147 O\n0.641553 0.358242 0.139024 O\n0.869344 0.148770 0.131584 O\n0.135110 0.641758 0.353298 O\n0.353290 0.861326 0.358480 O\n0.622596 0.130212 0.374357 O\n0.622002 0.625981 0.387631 O\n0.861536 0.362748 0.354265 O\n0.361155 0.359628 0.368594 O\n0.111741 0.107856 0.386975 O\n0.892018 0.891818 0.383626 O\n0.386074 0.622695 0.623905 O\n0.624754 0.385827 0.626745 O\n0.883969 0.118098 0.618873 O\n0.371477 0.120448 0.638904 O\n0.114699 0.886465 0.609983 O\n0.121883 0.390568 0.612311 O\n0.858445 0.628075 0.621823 O\n0.624958 0.859807 0.627863 O\n0.378715 0.361553 0.873961 O\n0.141980 0.119794 0.876499 O\n0.888243 0.889330 0.883972 O\n0.891219 0.386537 0.891844 O\n0.625495 0.622385 0.862852 O\n0.119120 0.621311 0.885236 O\n0.385755 0.888174 0.891236 O\n0.610476 0.111712 0.890611 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O-Ti",
"density": 4.78909406514819,
"density_atomic": 0.08618996316005774,
"volume": 649.7276242711239,
"volume_molar": 6.987055730394822,
"formula_full": "Li8 Ti4 Nb12 O32",
"formula_reduced": "Li2TiNb3O8",
"formula_anonymous": "AB2C3D8",
"energy": -484.2434585499999,
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"updated_at": "2021-11-28T01:34:46.171000Z",
"spacegroup": 1
},
{
"id": "mp-1026500",
"created_at": "2022-09-04T14:40:21.988649Z",
"structure_string": "Mg14 Ga1 B1\n1.0\n6.231721 -0.134113 0.000000\n-3.232006 5.597998 0.000000\n0.000000 0.000000 9.875948\nMg Ga B\n14 1 1\ndirect\n0.174095 0.337047 0.625000 Mg\n0.174581 0.837290 0.625000 Mg\n0.745263 0.365186 0.125000 Mg\n0.660242 0.328600 0.625000 Mg\n0.745263 0.880076 0.125000 Mg\n0.660242 0.831642 0.625000 Mg\n0.312090 0.170907 0.336200 Mg\n0.312090 0.170907 0.913800 Mg\n0.312090 0.641184 0.336200 Mg\n0.312090 0.641184 0.913800 Mg\n0.824624 0.162313 0.374281 Mg\n0.824624 0.162313 0.875719 Mg\n0.826281 0.663141 0.379294 Mg\n0.826281 0.663141 0.870706 Mg\n0.182005 0.841002 0.125000 Ga\n0.108138 0.304069 0.125000 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ga",
"B"
],
"chemical_system": "B-Ga-Mg",
"density": 2.053711375971553,
"density_atomic": 0.0470251765317364,
"volume": 340.2432734984398,
"volume_molar": 12.806205535317389,
"formula_full": "Mg14 Ga1 B1",
"formula_reduced": "Mg14GaB",
"formula_anonymous": "ABC14",
"energy": -29.66616729,
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"updated_at": "2021-11-28T01:34:48.575000Z",
"spacegroup": 38
},
{
"id": "mp-759790",
"created_at": "2022-09-04T14:40:27.268309Z",
"structure_string": "Ag4 Hg10\n1.0\n10.263058 0.000000 0.000000\n0.000000 10.263058 0.000000\n0.000000 0.000000 3.090419\nAg Hg\n4 10\ndirect\n0.680868 0.180868 0.500000 Ag\n0.180868 0.319132 0.500000 Ag\n0.819132 0.680868 0.500000 Ag\n0.319132 0.819132 0.500000 Ag\n0.500000 0.000000 0.000000 Hg\n0.201301 0.062914 0.000000 Hg\n0.937086 0.201301 0.000000 Hg\n0.437086 0.298699 0.000000 Hg\n0.701301 0.437086 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.298699 0.562914 0.000000 Hg\n0.562914 0.701301 0.000000 Hg\n0.062914 0.798699 0.000000 Hg\n0.798699 0.937086 0.000000 Hg\n",
"nsites": 14,
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],
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"density": 12.433692600006895,
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"volume": 325.51494431074997,
"volume_molar": 14.00212010087784,
"formula_full": "Ag4 Hg10",
"formula_reduced": "Ag2Hg5",
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"energy": -13.24999215,
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"spacegroup": 127
},
{
"id": "mp-973933",
"created_at": "2022-09-04T14:40:21.973299Z",
"structure_string": "Ni2 N2\n1.0\n1.516734 -2.627060 0.000000\n1.516734 2.627060 0.000000\n0.000000 0.000000 5.070463\nNi N\n2 2\ndirect\n0.666667 0.333333 0.873046 Ni\n0.333333 0.666667 0.373046 Ni\n0.666667 0.333333 0.501956 N\n0.333333 0.666667 0.001956 N\n",
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"volume": 40.40703908591721,
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"formula_full": "Ni2 N2",
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"updated_at": "2021-11-28T01:34:48.214000Z",
"spacegroup": 186
},
{
"id": "mp-1216223",
"created_at": "2022-09-04T14:40:21.971402Z",
"structure_string": "Zr12 Fe8 Sb12\n1.0\n0.000000 -4.309772 0.000000\n-6.847600 0.000000 0.013338\n0.041881 0.000000 -22.070315\nZr Fe Sb\n12 8 12\ndirect\n0.750000 0.500908 0.092118 Zr\n0.750000 0.506346 0.423787 Zr\n0.750000 0.501921 0.759079 Zr\n0.750000 0.005639 0.078067 Zr\n0.750000 0.006266 0.406664 Zr\n0.750000 0.008657 0.741839 Zr\n0.250000 0.498832 0.240876 Zr\n0.250000 0.505097 0.572675 Zr\n0.250000 0.507384 0.907575 Zr\n0.250000 0.998008 0.257505 Zr\n0.250000 0.990554 0.592690 Zr\n0.250000 0.990558 0.926854 Zr\n0.750000 0.848039 0.525984 Fe\n0.750000 0.849661 0.859370 Fe\n0.250000 0.646107 0.024033 Fe\n0.250000 0.644655 0.357354 Fe\n0.250000 0.644021 0.689935 Fe\n0.250000 0.146286 0.141611 Fe\n0.250000 0.149173 0.475689 Fe\n0.250000 0.148150 0.808710 Fe\n0.750000 0.235191 0.199811 Sb\n0.750000 0.235660 0.533944 Sb\n0.750000 0.236554 0.868426 Sb\n0.750000 0.734478 0.299938 Sb\n0.750000 0.729778 0.637466 Sb\n0.750000 0.731707 0.971750 Sb\n0.250000 0.767009 0.138447 Sb\n0.250000 0.771381 0.467234 Sb\n0.250000 0.769385 0.800550 Sb\n0.250000 0.271944 0.028092 Sb\n0.250000 0.269886 0.360663 Sb\n0.250000 0.272369 0.694063 Sb\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Fe-Sb-Zr",
"density": 7.654949751702907,
"density_atomic": 0.04913040829733785,
"volume": 651.3277847465789,
"volume_molar": 12.257461252008998,
"formula_full": "Zr12 Fe8 Sb12",
"formula_reduced": "Zr3Fe2Sb3",
"formula_anonymous": "A2B3C3",
"energy": -237.92212879,
"energy_per_atom": -7.4350665246875,
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"updated_at": "2021-11-28T01:35:05.048000Z",
"spacegroup": 6
},
{
"id": "mp-1041481",
"created_at": "2022-09-04T14:40:27.335273Z",
"structure_string": "Cu6 Te12 O42\n1.0\n9.542645 0.000000 0.000000\n0.000000 10.626136 0.000000\n0.000000 0.849633 11.130661\nCu Te O\n6 12 42\ndirect\n0.936910 0.409513 0.196080 Cu\n0.063090 0.590487 0.803920 Cu\n0.435181 0.250000 0.500000 Cu\n0.936910 0.090487 0.803920 Cu\n0.564819 0.750000 0.500000 Cu\n0.063090 0.909513 0.196080 Cu\n0.211899 0.293132 0.833704 Te\n0.754874 0.377642 0.838263 Te\n0.245126 0.877642 0.838263 Te\n0.788101 0.793132 0.833704 Te\n0.284549 0.958460 0.522120 Te\n0.754874 0.122358 0.161737 Te\n0.715451 0.458460 0.522120 Te\n0.245126 0.622358 0.161737 Te\n0.284549 0.541540 0.477880 Te\n0.715451 0.041540 0.477880 Te\n0.788101 0.706868 0.166296 Te\n0.211899 0.206868 0.166296 Te\n0.788519 0.967686 0.805269 O\n0.782644 0.294187 0.173732 O\n0.853635 0.750000 0.000000 O\n0.886867 0.108790 0.494582 O\n0.369754 0.583027 0.049831 O\n0.934552 0.720311 0.753619 O\n0.343677 0.937740 0.690256 O\n0.113133 0.608790 0.494582 O\n0.715646 0.868596 0.517390 O\n0.369754 0.916973 0.950169 O\n0.715646 0.631404 0.482610 O\n0.433101 0.880673 0.448811 O\n0.925073 0.038297 0.150622 O\n0.065448 0.220311 0.753619 O\n0.656323 0.062260 0.309744 O\n0.343677 0.562260 0.309744 O\n0.934552 0.779689 0.246381 O\n0.630246 0.416973 0.950169 O\n0.211481 0.467686 0.805269 O\n0.566899 0.119327 0.551189 O\n0.381856 0.272418 0.194375 O\n0.284354 0.131404 0.482610 O\n0.074927 0.538297 0.150622 O\n0.284354 0.368596 0.517390 O\n0.886867 0.391210 0.505418 O\n0.566899 0.380673 0.448811 O\n0.113133 0.891210 0.505418 O\n0.618144 0.772418 0.194375 O\n0.618144 0.727582 0.805625 O\n0.074927 0.961703 0.849378 O\n0.065448 0.279689 0.246381 O\n0.788519 0.532314 0.194731 O\n0.146365 0.250000 0.000000 O\n0.217356 0.794187 0.173732 O\n0.630246 0.083027 0.049831 O\n0.925073 0.461703 0.849378 O\n0.211481 0.032314 0.194731 O\n0.782644 0.205813 0.826268 O\n0.433101 0.619327 0.551189 O\n0.656323 0.437740 0.690256 O\n0.217356 0.705813 0.826268 O\n0.381856 0.227582 0.805625 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-O-Te",
"density": 3.8023515962686503,
"density_atomic": 0.053160144986285685,
"volume": 1128.6650932851833,
"volume_molar": 11.328300104436508,
"formula_full": "Cu6 Te12 O42",
"formula_reduced": "CuTe2O7",
"formula_anonymous": "AB2C7",
"energy": -331.14230195,
"energy_per_atom": -5.5190383658333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -302.28830195,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0359722,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.503000Z",
"spacegroup": 13
}
]
}