HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=11469",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=11467",
"results": [
{
"id": "mp-1704",
"created_at": "2022-09-04T14:46:34.383044Z",
"structure_string": "Tb4 Tl2\n1.0\n2.718934 -4.709332 0.000000\n2.718934 4.709332 0.000000\n0.000000 0.000000 6.763748\nTb Tl\n4 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.333333 0.666667 0.250000 Tl\n0.666667 0.333333 0.750000 Tl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"Tl"
],
"chemical_system": "Tb-Tl",
"density": 10.013106789885459,
"density_atomic": 0.034639838781718814,
"volume": 173.21096780526884,
"volume_molar": 17.38501382165262,
"formula_full": "Tb4 Tl2",
"formula_reduced": "Tb2Tl",
"formula_anonymous": "AB2",
"energy": -24.84252768,
"energy_per_atom": -4.14042128,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.84252768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2409376,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.275000Z",
"spacegroup": 194
},
{
"id": "mp-1728",
"created_at": "2022-09-04T14:47:11.353049Z",
"structure_string": "Lu2 Rh4\n1.0\n0.000000 3.744909 3.744909\n3.744909 0.000000 3.744909\n3.744909 3.744909 0.000000\nLu Rh\n2 4\ndirect\n0.500000 0.500000 0.500000 Lu\n0.750000 0.750000 0.750000 Lu\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Lu",
"Rh"
],
"chemical_system": "Lu-Rh",
"density": 12.039186412457042,
"density_atomic": 0.057121216485787586,
"volume": 105.03977977242255,
"volume_molar": 10.542738986482156,
"formula_full": "Lu2 Rh4",
"formula_reduced": "LuRh2",
"formula_anonymous": "AB2",
"energy": -43.10735067,
"energy_per_atom": -7.184558445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.10735067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054398,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.703000Z",
"spacegroup": 227
},
{
"id": "mp-705416",
"created_at": "2022-09-04T14:46:24.603000Z",
"structure_string": "Fe24 O32\n1.0\n5.923972 0.000000 0.000000\n0.000000 6.617080 0.000000\n0.000000 0.000000 16.132684\nFe O\n24 32\ndirect\n0.767468 0.250000 0.597753 Fe\n0.736465 0.250000 0.155008 Fe\n0.510465 0.750000 0.147177 Fe\n0.263535 0.750000 0.844992 Fe\n0.980848 0.750000 0.601366 Fe\n0.736465 0.750000 0.344992 Fe\n0.064565 0.500000 0.250000 Fe\n0.767468 0.750000 0.902247 Fe\n0.489535 0.750000 0.647177 Fe\n0.510465 0.250000 0.352823 Fe\n0.500000 0.500000 0.500000 Fe\n0.935435 0.500000 0.750000 Fe\n0.500000 0.000000 0.500000 Fe\n0.232532 0.750000 0.402247 Fe\n0.232532 0.250000 0.097753 Fe\n0.935435 0.000000 0.750000 Fe\n0.019152 0.750000 0.101366 Fe\n0.064565 0.000000 0.250000 Fe\n0.500000 0.000000 0.000000 Fe\n0.980848 0.250000 0.898634 Fe\n0.263535 0.250000 0.655008 Fe\n0.019152 0.250000 0.398634 Fe\n0.489535 0.250000 0.852823 Fe\n0.500000 0.500000 0.000000 Fe\n0.991439 0.551772 0.375060 O\n0.704684 0.250000 0.965643 O\n0.241380 0.750000 0.211844 O\n0.506172 0.554643 0.872547 O\n0.991439 0.448228 0.124940 O\n0.295316 0.750000 0.034357 O\n0.991439 0.948228 0.375060 O\n0.779176 0.250000 0.276185 O\n0.758620 0.750000 0.711844 O\n0.758620 0.250000 0.788156 O\n0.748976 0.250000 0.474022 O\n0.493828 0.554643 0.372547 O\n0.506172 0.054643 0.627453 O\n0.008561 0.551772 0.875060 O\n0.220824 0.750000 0.723815 O\n0.295316 0.250000 0.465643 O\n0.251024 0.250000 0.974022 O\n0.704684 0.750000 0.534357 O\n0.493828 0.945357 0.372547 O\n0.008561 0.948228 0.875060 O\n0.008561 0.448228 0.624940 O\n0.008561 0.051772 0.624940 O\n0.748976 0.750000 0.025978 O\n0.506172 0.945357 0.872547 O\n0.493828 0.054643 0.127453 O\n0.251024 0.750000 0.525978 O\n0.220824 0.250000 0.776185 O\n0.506172 0.445357 0.627453 O\n0.991439 0.051772 0.124940 O\n0.779176 0.750000 0.223815 O\n0.241380 0.250000 0.288156 O\n0.493828 0.445357 0.127453 O\n",
"nsites": 56,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.863682579556946,
"density_atomic": 0.08855274281600788,
"volume": 632.3914790121753,
"volume_molar": 6.800625896492688,
"formula_full": "Fe24 O32",
"formula_reduced": "Fe3O4",
"formula_anonymous": "A3B4",
"energy": -445.58212627,
"energy_per_atom": -7.956823683392857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -369.45412627,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 111.9998587,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.583000Z",
"spacegroup": 57
},
{
"id": "mp-1216163",
"created_at": "2022-09-04T14:46:35.316416Z",
"structure_string": "Y4 Mg25\n1.0\n5.617328 -7.949585 0.000000\n5.617328 7.949585 0.000000\n-5.632844 0.000000 7.938599\nY Mg\n4 25\ndirect\n0.998867 0.998867 0.998867 Y\n0.999351 0.999351 0.372643 Y\n0.372643 0.999351 0.999351 Y\n0.999351 0.372643 0.999351 Y\n0.676740 0.676740 0.283854 Mg\n0.676740 0.283854 0.676740 Mg\n0.283854 0.676740 0.676740 Mg\n0.392420 0.392420 0.711970 Mg\n0.608653 0.000751 0.324259 Mg\n0.000751 0.608653 0.324259 Mg\n0.324259 0.608653 0.000751 Mg\n0.324259 0.000751 0.608653 Mg\n0.711970 0.392420 0.392420 Mg\n0.608653 0.324259 0.000751 Mg\n0.392420 0.711970 0.392420 Mg\n0.000751 0.324259 0.608653 Mg\n0.190331 0.190331 0.819649 Mg\n0.190331 0.819649 0.190331 Mg\n0.819649 0.190331 0.190331 Mg\n0.370448 0.370448 0.179384 Mg\n0.629266 0.999495 0.809710 Mg\n0.999495 0.629266 0.809710 Mg\n0.809710 0.629266 0.999495 Mg\n0.809710 0.999495 0.629266 Mg\n0.179384 0.370448 0.370448 Mg\n0.629266 0.809710 0.999495 Mg\n0.370448 0.179384 0.370448 Mg\n0.999495 0.809710 0.629266 Mg\n0.630783 0.630783 0.630783 Mg\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.2560010229931304,
"density_atomic": 0.04090250405565644,
"volume": 709.0030468682166,
"volume_molar": 14.723159129342339,
"formula_full": "Y4 Mg25",
"formula_reduced": "Y4Mg25",
"formula_anonymous": "A4B25",
"energy": -67.04296642,
"energy_per_atom": -2.311826428275862,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.04296642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4206018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.379000Z",
"spacegroup": 160
},
{
"id": "mp-982246",
"created_at": "2022-09-04T14:46:33.804237Z",
"structure_string": "Pb1 Au3\n1.0\n0.000000 3.481996 3.481996\n3.481996 0.000000 3.481996\n3.481996 3.481996 0.000000\nPb Au\n1 3\ndirect\n0.500000 0.500000 0.500000 Pb\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"Au"
],
"chemical_system": "Au-Pb",
"density": 15.69608888990316,
"density_atomic": 0.04737456028617961,
"volume": 84.43350135255828,
"volume_molar": 12.71176075011891,
"formula_full": "Pb1 Au3",
"formula_reduced": "PbAu3",
"formula_anonymous": "AB3",
"energy": -13.42204146,
"energy_per_atom": -3.355510365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.42204146,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001304,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.157000Z",
"spacegroup": 225
},
{
"id": "mp-1077183",
"created_at": "2022-09-04T14:46:37.105974Z",
"structure_string": "Pr2 Ge4\n1.0\n-2.072123 2.133617 8.048837\n2.072123 -2.133617 8.048837\n2.072123 2.133617 -8.048837\nPr Ge\n2 4\ndirect\n0.622835 0.372835 0.250000 Pr\n0.377165 0.627165 0.750000 Pr\n0.047265 0.797265 0.250000 Ge\n0.952735 0.202735 0.750000 Ge\n0.208151 0.958151 0.250000 Ge\n0.791849 0.041849 0.750000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pr",
"Ge"
],
"chemical_system": "Ge-Pr",
"density": 6.67736111234022,
"density_atomic": 0.042152771306965264,
"volume": 142.33939582066265,
"volume_molar": 14.28646462208977,
"formula_full": "Pr2 Ge4",
"formula_reduced": "PrGe2",
"formula_anonymous": "AB2",
"energy": -31.77461031,
"energy_per_atom": -5.295768385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.77461031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036805,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.621000Z",
"spacegroup": 74
},
{
"id": "mp-13494",
"created_at": "2022-09-04T14:46:27.283999Z",
"structure_string": "Nd3 Fe29\n1.0\n6.455912 -0.006329 0.550835\n0.758290 6.411227 0.550835\n-0.050608 -0.044930 10.509744\nNd Fe\n3 29\ndirect\n0.813359 0.813359 0.599258 Nd\n0.186641 0.186641 0.400742 Nd\n0.000000 0.000000 0.000000 Nd\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.811095 0.316165 0.596249 Fe\n0.500000 0.500000 0.500000 Fe\n0.291842 0.291842 0.859961 Fe\n0.708158 0.708158 0.140039 Fe\n0.520976 0.520976 0.747184 Fe\n0.479024 0.479024 0.252816 Fe\n0.316265 0.865709 0.196093 Fe\n0.134291 0.683735 0.803907 Fe\n0.683735 0.134291 0.803907 Fe\n0.865709 0.316265 0.196093 Fe\n0.539745 0.830447 0.375092 Fe\n0.169553 0.460255 0.624908 Fe\n0.460255 0.169553 0.624908 Fe\n0.830447 0.539745 0.375092 Fe\n0.639926 0.360074 0.000000 Fe\n0.360074 0.639926 0.000000 Fe\n0.280213 0.280213 0.106261 Fe\n0.719787 0.719787 0.893739 Fe\n0.097118 0.591121 0.197647 Fe\n0.408879 0.902882 0.802353 Fe\n0.902882 0.408879 0.802353 Fe\n0.591121 0.097118 0.197647 Fe\n0.904470 0.904470 0.290960 Fe\n0.095530 0.095530 0.709040 Fe\n0.316165 0.811095 0.596249 Fe\n0.188905 0.683835 0.403751 Fe\n0.683835 0.188905 0.403751 Fe\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Nd",
"Fe"
],
"chemical_system": "Fe-Nd",
"density": 7.82735187639781,
"density_atomic": 0.0735003648910984,
"volume": 435.37198825356455,
"volume_molar": 8.193348113200102,
"formula_full": "Nd3 Fe29",
"formula_reduced": "Nd3Fe29",
"formula_anonymous": "A3B29",
"energy": -258.55692786,
"energy_per_atom": -8.079903995625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -258.55692786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 65.5473359,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:40.311000Z",
"spacegroup": 12
},
{
"id": "mp-1187662",
"created_at": "2022-09-04T14:46:38.216685Z",
"structure_string": "Tm2 Sb6\n1.0\n3.251645 -5.632014 0.000000\n3.251645 5.632014 0.000000\n0.000000 0.000000 5.870578\nTm Sb\n2 6\ndirect\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.173962 0.347924 0.250000 Sb\n0.652076 0.826038 0.250000 Sb\n0.173962 0.826038 0.250000 Sb\n0.826038 0.652076 0.750000 Sb\n0.347924 0.173962 0.750000 Sb\n0.826038 0.173962 0.750000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Sb"
],
"chemical_system": "Sb-Tm",
"density": 8.25119441017319,
"density_atomic": 0.03720593968727254,
"volume": 215.01943150052065,
"volume_molar": 16.185966032891418,
"formula_full": "Tm2 Sb6",
"formula_reduced": "TmSb3",
"formula_anonymous": "AB3",
"energy": -37.58520892,
"energy_per_atom": -4.698151115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.43320892,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.078000Z",
"spacegroup": 194
},
{
"id": "mp-1008274",
"created_at": "2022-09-04T14:46:33.785732Z",
"structure_string": "Co3 W1\n1.0\n3.602456 0.000000 0.000000\n0.000000 3.602456 0.000000\n0.000000 0.000000 3.602456\nCo W\n3 1\ndirect\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"W"
],
"chemical_system": "Co-W",
"density": 12.809330663582884,
"density_atomic": 0.08555865249693886,
"volume": 46.751554439723236,
"volume_molar": 7.038611039620407,
"formula_full": "Co3 W1",
"formula_reduced": "Co3W",
"formula_anonymous": "AB3",
"energy": -34.47397083,
"energy_per_atom": -8.6184927075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.47397083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8380931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.228000Z",
"spacegroup": 221
},
{
"id": "mp-1185880",
"created_at": "2022-09-04T14:46:35.487050Z",
"structure_string": "Mg1 Hg3\n1.0\n4.599486 0.000000 0.000000\n0.000000 4.599486 0.000000\n0.000000 0.000000 4.599486\nMg Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.684336457134235,
"density_atomic": 0.04110854328589865,
"volume": 97.30337492576899,
"volume_molar": 14.649365505650886,
"formula_full": "Mg1 Hg3",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy": -2.77714346,
"energy_per_atom": -0.694285865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.77714346,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.209000Z",
"spacegroup": 221
},
{
"id": "mp-1213754",
"created_at": "2022-09-04T14:46:33.543856Z",
"structure_string": "Cr5 Te8\n1.0\n3.959506 6.126950 0.000000\n-3.959506 6.126950 0.000000\n0.000000 6.017214 6.840667\nCr Te\n5 8\ndirect\n0.727567 0.272433 0.500000 Cr\n0.272433 0.727567 0.500000 Cr\n0.731616 0.731616 0.017000 Cr\n0.268384 0.268384 0.983000 Cr\n0.000000 0.000000 0.000000 Cr\n0.447535 0.447535 0.334880 Te\n0.552465 0.552465 0.665120 Te\n0.542242 0.036401 0.170042 Te\n0.457758 0.963599 0.829958 Te\n0.963599 0.457758 0.829958 Te\n0.036401 0.542242 0.170042 Te\n0.976464 0.976464 0.324407 Te\n0.023536 0.023536 0.675593 Te\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.407815774758093,
"density_atomic": 0.039167834882714324,
"volume": 331.90499395556844,
"volume_molar": 15.375219942672173,
"formula_full": "Cr5 Te8",
"formula_reduced": "Cr5Te8",
"formula_anonymous": "A5B8",
"energy": -79.58544673,
"energy_per_atom": -6.121957440769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.20944673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.1742312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.153000Z",
"spacegroup": 12
},
{
"id": "mp-1220075",
"created_at": "2022-09-04T14:46:33.336152Z",
"structure_string": "Np2 Si3\n1.0\n-2.113684 -3.657483 0.000000\n-2.108887 3.654709 0.000000\n0.000000 0.000000 -6.410422\nNp Si\n2 3\ndirect\n0.999767 0.999854 0.023319 Np\n0.999767 0.999854 0.476681 Np\n0.332950 0.666294 0.750000 Si\n0.666513 0.333279 0.250000 Si\n0.667503 0.334019 0.750000 Si\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Np",
"Si"
],
"chemical_system": "Np-Si",
"density": 9.367029790885601,
"density_atomic": 0.050522987124485254,
"volume": 98.96485312082469,
"volume_molar": 11.919605515726632,
"formula_full": "Np2 Si3",
"formula_reduced": "Np2Si3",
"formula_anonymous": "A2B3",
"energy": -42.07837539,
"energy_per_atom": -8.415675078,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.29137539,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.7420353,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.597000Z",
"spacegroup": 187
}
]
}