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=density&page=109",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=107",
"results": [
{
"id": "mp-1095969",
"created_at": "2022-09-04T14:46:58.390326Z",
"structure_string": "Mn1 Nb2 Cr1\n1.0\n-4.859752 5.313667 7.493754\n4.859752 -5.313667 7.493754\n4.859752 5.313667 -7.493754\nMn Nb Cr\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.264983 0.264983 Nb\n0.000000 0.735017 0.735017 Nb\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"Cr"
],
"chemical_system": "Cr-Mn-Nb",
"density": 0.628020101429271,
"density_atomic": 0.005167638513170323,
"volume": 774.0479504914167,
"volume_molar": 116.53564282122058,
"formula_full": "Mn1 Nb2 Cr1",
"formula_reduced": "MnNb2Cr",
"formula_anonymous": "ABC2",
"energy": -23.84996047,
"energy_per_atom": -5.9624901175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.84996047,
"band_gap": 0.1705000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9989637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.276000Z",
"spacegroup": 71
},
{
"id": "mp-1093607",
"created_at": "2022-09-04T14:40:14.058468Z",
"structure_string": "Hf2 Mn1 Co1\n1.0\n-4.594714 7.070360 9.573928\n4.594714 -7.070360 9.573928\n4.594714 7.070360 -9.573928\nHf Mn Co\n2 1 1\ndirect\n0.000000 0.258489 0.258489 Hf\n0.000000 0.741511 0.741511 Hf\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Mn",
"Co"
],
"chemical_system": "Co-Hf-Mn",
"density": 0.6284672579007613,
"density_atomic": 0.0032152136130617595,
"volume": 1244.0853023730856,
"volume_molar": 187.3014202084471,
"formula_full": "Hf2 Mn1 Co1",
"formula_reduced": "Hf2MnCo",
"formula_anonymous": "ABC2",
"energy": -22.8145084,
"energy_per_atom": -5.7036271,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.8145084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4387269,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.818000Z",
"spacegroup": 71
},
{
"id": "mp-1097560",
"created_at": "2022-09-04T14:43:07.513809Z",
"structure_string": "Al2 Os1 Ru1\n1.0\n-4.860174 5.645070 8.308155\n4.860174 -5.645070 8.308155\n4.860174 5.645070 -8.308155\nAl Os Ru\n2 1 1\ndirect\n0.000000 0.250002 0.250002 Al\n0.000000 0.749998 0.749998 Al\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Os",
"Ru"
],
"chemical_system": "Al-Os-Ru",
"density": 0.6288014048610701,
"density_atomic": 0.004387066931311849,
"volume": 911.7709081324397,
"volume_molar": 137.27031874116452,
"formula_full": "Al2 Os1 Ru1",
"formula_reduced": "Al2OsRu",
"formula_anonymous": "ABC2",
"energy": -15.67301548,
"energy_per_atom": -3.91825387,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.67301548,
"band_gap": 0.0205999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9997666,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.688000Z",
"spacegroup": 71
},
{
"id": "mp-1023900",
"created_at": "2022-09-04T14:47:42.581038Z",
"structure_string": "Si4 S4\n1.0\n3.985430 0.000000 0.000000\n0.000000 6.642900 0.000000\n0.000000 0.000000 23.998330\nSi S\n4 4\ndirect\n0.750000 0.750000 0.027324 Si\n0.750000 0.250000 0.027324 Si\n0.250000 0.750000 0.972676 Si\n0.250000 0.250000 0.972676 Si\n0.795253 0.500000 0.084831 S\n0.704747 0.000000 0.084831 S\n0.204747 0.500000 0.915169 S\n0.295253 0.000000 0.915169 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"S"
],
"chemical_system": "S-Si",
"density": 0.6288316745264756,
"density_atomic": 0.0125914592884635,
"volume": 635.3512977903785,
"volume_molar": 47.8271868417792,
"formula_full": "Si4 S4",
"formula_reduced": "SiS",
"formula_anonymous": "AB",
"energy": -43.62015764,
"energy_per_atom": -5.452519705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.60815764,
"band_gap": 0.4776,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003113,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.636000Z",
"spacegroup": 53
},
{
"id": "mp-1097684",
"created_at": "2022-09-04T14:42:23.951018Z",
"structure_string": "Mn1 V2 Mo1\n1.0\n-4.846717 5.114978 6.728009\n4.846717 -5.114978 6.728009\n4.846717 5.114978 -6.728009\nMn V Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.263921 0.263921 V\n0.000000 0.736079 0.736079 V\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"V",
"Mo"
],
"chemical_system": "Mn-Mo-V",
"density": 0.6291022703616425,
"density_atomic": 0.0059954530190562015,
"volume": 667.1722699329359,
"volume_molar": 100.4451330176214,
"formula_full": "Mn1 V2 Mo1",
"formula_reduced": "MnV2Mo",
"formula_anonymous": "ABC2",
"energy": -22.25109481,
"energy_per_atom": -5.5627737025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.25109481,
"band_gap": 0.0043000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.6950803,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.875000Z",
"spacegroup": 71
},
{
"id": "mp-1093960",
"created_at": "2022-09-04T14:47:06.884023Z",
"structure_string": "Y1 Sc1 Hg2\n1.0\n-5.991504 6.644657 8.867584\n5.991504 -6.644657 8.867584\n5.991504 6.644657 -8.867584\nY Sc Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.242172 0.242172 Hg\n0.000000 0.757828 0.757828 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"Hg"
],
"chemical_system": "Hg-Sc-Y",
"density": 0.6291628277519016,
"density_atomic": 0.0028326066337909157,
"volume": 1412.1268912820224,
"volume_molar": 212.6006727570389,
"formula_full": "Y1 Sc1 Hg2",
"formula_reduced": "YScHg2",
"formula_anonymous": "ABC2",
"energy": -6.56183445,
"energy_per_atom": -1.6404586125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.56183445,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6326944,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.864000Z",
"spacegroup": 71
},
{
"id": "mp-1097177",
"created_at": "2022-09-04T14:40:20.481144Z",
"structure_string": "Ti2 Ga1 Mo1\n1.0\n-4.823942 5.061305 7.058305\n4.823942 -5.061305 7.058305\n4.823942 5.061305 -7.058305\nTi Ga Mo\n2 1 1\ndirect\n0.000000 0.278123 0.278123 Ti\n0.000000 0.721877 0.721877 Ti\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ga",
"Mo"
],
"chemical_system": "Ga-Mo-Ti",
"density": 0.6296869567685618,
"density_atomic": 0.005802765126924594,
"volume": 689.3265387289523,
"volume_molar": 103.78053614573356,
"formula_full": "Ti2 Ga1 Mo1",
"formula_reduced": "Ti2GaMo",
"formula_anonymous": "ABC2",
"energy": -17.22906406,
"energy_per_atom": -4.307266015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.22906406,
"band_gap": 0.2604999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7747781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.140000Z",
"spacegroup": 71
},
{
"id": "mp-1182658",
"created_at": "2022-09-04T14:39:33.645074Z",
"structure_string": "Cr4 Ni2 H40 N4 O28\n1.0\n18.636714 0.000000 0.000000\n0.000000 9.855623 0.000000\n0.000000 8.148086 12.481581\nCr Ni H N O\n4 2 40 4 28\ndirect\n0.362772 0.325819 0.880741 Cr\n0.862772 0.674181 0.619259 Cr\n0.637228 0.674181 0.119259 Cr\n0.137228 0.325819 0.380741 Cr\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.234179 0.043593 0.395308 H\n0.734179 0.956407 0.104692 H\n0.765821 0.956407 0.604692 H\n0.265821 0.043593 0.895308 H\n0.199668 0.597429 0.747457 H\n0.699668 0.402571 0.752543 H\n0.800332 0.402571 0.252543 H\n0.300332 0.597429 0.247457 H\n0.311852 0.397694 0.178961 H\n0.811852 0.602306 0.321039 H\n0.688148 0.602306 0.821039 H\n0.188148 0.397694 0.678961 H\n0.684567 0.610437 0.867965 H\n0.184567 0.389563 0.632035 H\n0.315433 0.389563 0.132035 H\n0.815433 0.610437 0.367965 H\n0.519419 0.767656 0.813093 H\n0.019419 0.232344 0.686907 H\n0.480581 0.232344 0.186907 H\n0.980581 0.767656 0.313093 H\n0.261284 0.749439 0.222985 H\n0.761284 0.250561 0.277015 H\n0.738716 0.250561 0.777015 H\n0.238716 0.749439 0.722985 H\n0.495488 0.810296 0.584406 H\n0.995488 0.189704 0.915594 H\n0.504512 0.189704 0.415594 H\n0.004512 0.810296 0.084406 H\n0.949543 0.040838 0.542377 H\n0.449543 0.959162 0.957623 H\n0.050457 0.959162 0.457623 H\n0.550457 0.040838 0.042377 H\n0.545549 0.665062 0.236079 H\n0.045549 0.334938 0.263921 H\n0.454451 0.334938 0.763921 H\n0.954451 0.665062 0.736079 H\n0.022916 0.261276 0.724005 H\n0.522916 0.738724 0.775995 H\n0.977084 0.738724 0.275995 H\n0.477084 0.261276 0.224005 H\n0.412018 0.392075 0.958697 N\n0.912018 0.607925 0.541303 N\n0.587982 0.607925 0.041303 N\n0.087982 0.392075 0.458697 N\n0.287446 0.419172 0.850250 O\n0.787446 0.580828 0.649750 O\n0.712554 0.580828 0.149750 O\n0.212554 0.419172 0.350250 O\n0.397764 0.248780 0.029525 O\n0.897764 0.751220 0.470475 O\n0.602236 0.751220 0.970475 O\n0.102236 0.248780 0.529525 O\n0.413159 0.397296 0.761889 O\n0.913159 0.602704 0.738111 O\n0.586841 0.602704 0.238111 O\n0.086841 0.397296 0.261889 O\n0.310760 0.096102 0.858226 O\n0.810760 0.903898 0.641774 O\n0.689240 0.903898 0.141774 O\n0.189240 0.096102 0.358226 O\n0.487839 0.921068 0.010967 O\n0.987839 0.078932 0.489033 O\n0.512161 0.078932 0.989033 O\n0.012161 0.921068 0.510967 O\n0.693991 0.285439 0.791630 O\n0.193991 0.714561 0.708370 O\n0.306009 0.714561 0.208370 O\n0.806009 0.285439 0.291630 O\n0.153678 0.110327 0.439869 O\n0.653678 0.889673 0.060131 O\n0.846322 0.889673 0.560131 O\n0.346322 0.110327 0.939869 O\n",
"nsites": 78,
"nelements": 5,
"elements": [
"Cr",
"Ni",
"H",
"N",
"O"
],
"chemical_system": "Cr-H-N-Ni-O",
"density": 0.6299338496627932,
"density_atomic": 0.034022919710890845,
"volume": 2292.5722031737314,
"volume_molar": 17.700246807660935,
"formula_full": "Cr4 Ni2 H40 N4 O28",
"formula_reduced": "Cr2NiH20(NO7)2",
"formula_anonymous": "AB2C2D14E20",
"energy": -394.61160968,
"energy_per_atom": -5.059123201025641,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -360.85360968,
"band_gap": 0.0059,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.5195154,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.870000Z",
"spacegroup": 14
},
{
"id": "mp-1196163",
"created_at": "2022-09-04T14:45:00.787169Z",
"structure_string": "B12 H40 N4\n1.0\n5.381212 0.000000 0.000000\n0.000000 10.858159 0.000000\n0.000000 5.645559 10.199304\nB H N\n12 40 4\ndirect\n0.834009 0.785214 0.096478 B\n0.665991 0.785214 0.596478 B\n0.165991 0.214786 0.903522 B\n0.334009 0.214786 0.403522 B\n0.954122 0.800359 0.945668 B\n0.545878 0.800359 0.445668 B\n0.045878 0.199641 0.054332 B\n0.454122 0.199641 0.554332 B\n0.824563 0.641792 0.062012 B\n0.675437 0.641792 0.562012 B\n0.175437 0.358208 0.937988 B\n0.324563 0.358208 0.437988 B\n0.183551 0.854325 0.143201 H\n0.316449 0.854325 0.643201 H\n0.816449 0.145675 0.856799 H\n0.683551 0.145675 0.356799 H\n0.977985 0.802063 0.263196 H\n0.522015 0.802063 0.763196 H\n0.022015 0.197937 0.736804 H\n0.477985 0.197937 0.236804 H\n0.136268 0.684516 0.240377 H\n0.363732 0.684516 0.740377 H\n0.863732 0.315484 0.759623 H\n0.636268 0.315484 0.259623 H\n0.723324 0.895016 0.053807 H\n0.776676 0.895016 0.553807 H\n0.276676 0.104984 0.946193 H\n0.223324 0.104984 0.446193 H\n0.682360 0.694312 0.164990 H\n0.817640 0.694312 0.664990 H\n0.317640 0.305688 0.835010 H\n0.182360 0.305688 0.335010 H\n0.169996 0.832290 0.943474 H\n0.330004 0.832290 0.443474 H\n0.830004 0.167710 0.056526 H\n0.669996 0.167710 0.556526 H\n0.829454 0.876027 0.851247 H\n0.670546 0.876027 0.351247 H\n0.170546 0.123973 0.148753 H\n0.329454 0.123973 0.648753 H\n0.950112 0.546719 0.142214 H\n0.549888 0.546719 0.642214 H\n0.049888 0.453281 0.857786 H\n0.450112 0.453281 0.357786 H\n0.625836 0.611639 0.034980 H\n0.874164 0.611639 0.534980 H\n0.374164 0.388361 0.965020 H\n0.125836 0.388361 0.465020 H\n0.966759 0.679987 0.949318 H\n0.533241 0.679987 0.449318 H\n0.033241 0.320013 0.050682 H\n0.466759 0.320013 0.550682 H\n0.049400 0.780803 0.192841 N\n0.450600 0.780803 0.692841 N\n0.950600 0.219197 0.807159 N\n0.549400 0.219197 0.307159 N\n",
"nsites": 56,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 0.6299375412231203,
"density_atomic": 0.09396826139112043,
"volume": 595.9458988701875,
"volume_molar": 6.408696586323204,
"formula_full": "B12 H40 N4",
"formula_reduced": "B3H10N",
"formula_anonymous": "AB3C10",
"energy": -260.53226083000004,
"energy_per_atom": -4.652361800535715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -259.08826083,
"band_gap": 5.9859,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.86e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.225000Z",
"spacegroup": 14
},
{
"id": "mp-1096226",
"created_at": "2022-09-04T14:48:15.244882Z",
"structure_string": "Y2 Tc1 Pb1\n1.0\n-5.365884 6.620599 8.942662\n5.365884 -6.620599 8.942662\n5.365884 6.620599 -8.942662\nY Tc Pb\n2 1 1\ndirect\n0.000000 0.223263 0.223263 Y\n0.000000 0.776737 0.776737 Y\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tc",
"Pb"
],
"chemical_system": "Pb-Tc-Y",
"density": 0.6311627746366772,
"density_atomic": 0.003147709318550881,
"volume": 1270.7653710036639,
"volume_molar": 191.31819842794215,
"formula_full": "Y2 Tc1 Pb1",
"formula_reduced": "Y2TcPb",
"formula_anonymous": "ABC2",
"energy": -17.41355211,
"energy_per_atom": -4.3533880275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.41355211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3893718,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.773000Z",
"spacegroup": 71
},
{
"id": "mp-1097497",
"created_at": "2022-09-04T14:45:00.448883Z",
"structure_string": "Ca1 Sb1 Rh2\n1.0\n-4.923105 5.693320 8.626979\n4.923105 -5.693320 8.626979\n4.923105 5.693320 -8.626979\nCa Sb Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sb\n0.000000 0.256564 0.256564 Rh\n0.000000 0.743436 0.743436 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Rh"
],
"chemical_system": "Ca-Rh-Sb",
"density": 0.6311884762295602,
"density_atomic": 0.004135581330299178,
"volume": 967.2158955487475,
"volume_molar": 145.6177567076004,
"formula_full": "Ca1 Sb1 Rh2",
"formula_reduced": "CaSbRh2",
"formula_anonymous": "ABC2",
"energy": -13.0834327,
"energy_per_atom": -3.270858175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.0834327,
"band_gap": 0.0232999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9997531,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.245000Z",
"spacegroup": 71
},
{
"id": "mp-1093654",
"created_at": "2022-09-04T14:41:09.527578Z",
"structure_string": "Y2 Cu1 Hg1\n1.0\n-5.841317 5.939245 8.370870\n5.841317 -5.939245 8.370870\n5.841317 5.939245 -8.370870\nY Cu Hg\n2 1 1\ndirect\n0.000000 0.238376 0.238376 Y\n0.000000 0.761624 0.761624 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cu",
"Hg"
],
"chemical_system": "Cu-Hg-Y",
"density": 0.6317530839969618,
"density_atomic": 0.003443399296983388,
"volume": 1161.6427997485582,
"volume_molar": 174.88941132315776,
"formula_full": "Y2 Cu1 Hg1",
"formula_reduced": "Y2CuHg",
"formula_anonymous": "ABC2",
"energy": -9.16703104,
"energy_per_atom": -2.29175776,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.16703104,
"band_gap": 0.0874000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.0001693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.551000Z",
"spacegroup": 71
}
]
}