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=spacegroup&page=10208",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10206",
"results": [
{
"id": "mp-542264",
"created_at": "2022-09-04T14:41:02.217926Z",
"structure_string": "Ba2 Na2 Ce4 C8 O24 F2\n1.0\n2.574139 -4.458540 0.000000\n2.574139 4.458540 0.000000\n0.000000 0.000000 23.187470\nBa Na Ce C O F\n2 2 4 8 24 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.333333 0.666667 0.750000 Na\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.353117 Ce\n0.666667 0.333333 0.853117 Ce\n0.666667 0.333333 0.646883 Ce\n0.333333 0.666667 0.146883 Ce\n0.000000 0.000000 0.677397 C\n0.000000 0.000000 0.177397 C\n0.000000 0.000000 0.322603 C\n0.000000 0.000000 0.822603 C\n0.666667 0.333333 0.432987 C\n0.333333 0.666667 0.932987 C\n0.333333 0.666667 0.567013 C\n0.666667 0.333333 0.067013 C\n0.145182 0.290364 0.676117 O\n0.854818 0.145182 0.176117 O\n0.290364 0.145182 0.176117 O\n0.709636 0.854818 0.676117 O\n0.145182 0.854818 0.676117 O\n0.854818 0.709636 0.323883 O\n0.854818 0.145182 0.323883 O\n0.854818 0.709636 0.176117 O\n0.290364 0.145182 0.323883 O\n0.709636 0.854818 0.823883 O\n0.145182 0.290364 0.823883 O\n0.145182 0.854818 0.823883 O\n0.521109 0.042218 0.434332 O\n0.478891 0.521109 0.934332 O\n0.042218 0.521109 0.934332 O\n0.957782 0.478891 0.434332 O\n0.521109 0.478891 0.434332 O\n0.478891 0.957782 0.565668 O\n0.478891 0.521109 0.565668 O\n0.478891 0.957782 0.934332 O\n0.042218 0.521109 0.565668 O\n0.957782 0.478891 0.065668 O\n0.521109 0.042218 0.065668 O\n0.521109 0.478891 0.065668 O\n0.333333 0.666667 0.250000 F\n0.666667 0.333333 0.750000 F\n",
"nsites": 42,
"nelements": 6,
"elements": [
"Ba",
"Na",
"Ce",
"C",
"O",
"F"
],
"chemical_system": "Ba-C-Ce-F-Na-O",
"density": 4.365260612629082,
"density_atomic": 0.07891167607856145,
"volume": 532.2406275870558,
"volume_molar": 7.631495184571403,
"formula_full": "Ba2 Na2 Ce4 C8 O24 F2",
"formula_reduced": "BaNaCe2C4O12F",
"formula_anonymous": "ABCD2E4F12",
"energy": -340.10419209,
"energy_per_atom": -8.097718859285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -322.69219209,
"band_gap": 0.1565000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9963734,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.501000Z",
"spacegroup": 194
},
{
"id": "mp-11023",
"created_at": "2022-09-04T14:41:02.242031Z",
"structure_string": "Sc2 Au2 O4\n1.0\n1.634370 -2.830812 0.000000\n1.634370 2.830812 0.000000\n0.000000 0.000000 12.306137\nSc Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.666667 0.333333 0.750000 Au\n0.333333 0.666667 0.250000 Au\n0.333333 0.666667 0.418510 O\n0.666667 0.333333 0.918510 O\n0.333333 0.666667 0.081490 O\n0.666667 0.333333 0.581490 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"Au",
"O"
],
"chemical_system": "Au-O-Sc",
"density": 7.988987027738195,
"density_atomic": 0.07025493492413903,
"volume": 113.8710043449384,
"volume_molar": 8.571840208097385,
"formula_full": "Sc2 Au2 O4",
"formula_reduced": "ScAuO2",
"formula_anonymous": "ABC2",
"energy": -59.51412666,
"energy_per_atom": -7.4392658325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.76612666,
"band_gap": 1.7796000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.056000Z",
"spacegroup": 194
},
{
"id": "mp-1192484",
"created_at": "2022-09-04T14:41:02.454902Z",
"structure_string": "Y20 Cd6 Ru2\n1.0\n4.819349 -8.347357 0.000000\n4.819349 8.347357 0.000000\n0.000000 0.000000 9.871106\nY Cd Ru\n20 6 2\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.209827 0.790173 0.439809 Y\n0.209827 0.419655 0.439809 Y\n0.580345 0.790173 0.439809 Y\n0.790173 0.209827 0.560191 Y\n0.790173 0.580345 0.560191 Y\n0.419655 0.209827 0.560191 Y\n0.790173 0.209827 0.939809 Y\n0.790173 0.580345 0.939809 Y\n0.419655 0.209827 0.939809 Y\n0.209827 0.790173 0.060191 Y\n0.209827 0.419655 0.060191 Y\n0.580345 0.790173 0.060191 Y\n0.541315 0.458685 0.250000 Y\n0.541315 0.082630 0.250000 Y\n0.917370 0.458685 0.250000 Y\n0.458685 0.541315 0.750000 Y\n0.458685 0.917370 0.750000 Y\n0.082630 0.541315 0.750000 Y\n0.885435 0.114565 0.250000 Cd\n0.885435 0.770871 0.250000 Cd\n0.229129 0.114565 0.250000 Cd\n0.114565 0.885435 0.750000 Cd\n0.114565 0.229129 0.750000 Cd\n0.770871 0.885435 0.750000 Cd\n0.333333 0.666667 0.250000 Ru\n0.666667 0.333333 0.750000 Ru\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Y",
"Cd",
"Ru"
],
"chemical_system": "Cd-Ru-Y",
"density": 5.550538679258794,
"density_atomic": 0.0352553357353074,
"volume": 794.2060234575684,
"volume_molar": 17.08150166321907,
"formula_full": "Y20 Cd6 Ru2",
"formula_reduced": "Y10Cd3Ru",
"formula_anonymous": "AB3C10",
"energy": -161.05283065,
"energy_per_atom": -5.751886808928572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.05283065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2436057,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.657000Z",
"spacegroup": 194
},
{
"id": "mp-10900",
"created_at": "2022-09-04T14:41:02.555873Z",
"structure_string": "U4 Al6 Os2\n1.0\n2.671589 -4.627328 0.000000\n2.671589 4.627328 0.000000\n0.000000 0.000000 8.893497\nU Al Os\n4 6 2\ndirect\n0.333333 0.666667 0.051666 U\n0.666667 0.333333 0.551666 U\n0.666667 0.333333 0.948334 U\n0.333333 0.666667 0.448334 U\n0.834475 0.668951 0.250000 Al\n0.165525 0.834475 0.750000 Al\n0.668951 0.834475 0.750000 Al\n0.331049 0.165525 0.250000 Al\n0.834475 0.165525 0.250000 Al\n0.165525 0.331049 0.750000 Al\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Al",
"Os"
],
"chemical_system": "Al-Os-U",
"density": 11.285799191417654,
"density_atomic": 0.05457311654615282,
"volume": 219.88848648311162,
"volume_molar": 11.034995142538795,
"formula_full": "U4 Al6 Os2",
"formula_reduced": "U2Al3Os",
"formula_anonymous": "AB2C3",
"energy": -93.13649405,
"energy_per_atom": -7.761374504166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.13649405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.2043109,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.185000Z",
"spacegroup": 194
},
{
"id": "mp-1184278",
"created_at": "2022-09-04T14:41:02.891686Z",
"structure_string": "Ga2 Pd6\n1.0\n2.807002 -4.861870 0.000000\n2.807002 4.861870 0.000000\n0.000000 0.000000 4.456150\nGa Pd\n2 6\ndirect\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.168400 0.336800 0.250000 Pd\n0.663200 0.831600 0.250000 Pd\n0.168400 0.831600 0.250000 Pd\n0.831600 0.663200 0.750000 Pd\n0.336800 0.168400 0.750000 Pd\n0.831600 0.168400 0.750000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd",
"density": 10.621206517836171,
"density_atomic": 0.06577398057348821,
"volume": 121.628642971695,
"volume_molar": 9.15581010529165,
"formula_full": "Ga2 Pd6",
"formula_reduced": "GaPd3",
"formula_anonymous": "AB3",
"energy": -40.77193237,
"energy_per_atom": -5.09649154625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.77193237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.38e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.013000Z",
"spacegroup": 194
},
{
"id": "mp-1096885",
"created_at": "2022-09-04T14:41:03.162835Z",
"structure_string": "Cr6 N4\n1.0\n1.531753 -2.653075 0.000000\n1.531753 2.653075 0.000000\n0.000000 0.000000 12.287841\nCr N\n6 4\ndirect\n0.333333 0.666667 0.422818 Cr\n0.666667 0.333333 0.577182 Cr\n0.666667 0.333333 0.922818 Cr\n0.333333 0.666667 0.077182 Cr\n0.000000 0.000000 0.250000 Cr\n0.000000 0.000000 0.750000 Cr\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 6.118670733908543,
"density_atomic": 0.10012814130636691,
"volume": 99.87202268543582,
"volume_molar": 6.0144337859760775,
"formula_full": "Cr6 N4",
"formula_reduced": "Cr3N2",
"formula_anonymous": "A2B3",
"energy": -93.25242185,
"energy_per_atom": -9.325242185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.80842185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6643394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.820000Z",
"spacegroup": 194
},
{
"id": "mp-1185166",
"created_at": "2022-09-04T14:41:03.199402Z",
"structure_string": "La2 Sm6\n1.0\n3.667845 -6.352894 0.000000\n3.667845 6.352894 0.000000\n0.000000 0.000000 6.001300\nLa Sm\n2 6\ndirect\n0.333333 0.666667 0.750000 La\n0.666667 0.333333 0.250000 La\n0.834621 0.165379 0.750000 Sm\n0.330759 0.165379 0.750000 Sm\n0.834621 0.669241 0.750000 Sm\n0.165379 0.834621 0.250000 Sm\n0.165379 0.330759 0.250000 Sm\n0.669241 0.834621 0.250000 Sm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"La",
"Sm"
],
"chemical_system": "La-Sm",
"density": 7.0058767486571165,
"density_atomic": 0.028604349149279475,
"volume": 279.67774964044287,
"volume_molar": 21.05323469718483,
"formula_full": "La2 Sm6",
"formula_reduced": "LaSm3",
"formula_anonymous": "AB3",
"energy": -37.91089717,
"energy_per_atom": -4.73886214625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.91089717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0857183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.803000Z",
"spacegroup": 194
},
{
"id": "mp-1213847",
"created_at": "2022-09-04T14:41:03.512831Z",
"structure_string": "Ce2 Zn6 P6\n1.0\n2.023538 -3.504870 0.000000\n2.023538 3.504870 0.000000\n0.000000 0.000000 19.923087\nCe Zn P\n2 6 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.128789 Zn\n0.666667 0.333333 0.871211 Zn\n0.666667 0.333333 0.628789 Zn\n0.333333 0.666667 0.371211 Zn\n0.333333 0.666667 0.586308 P\n0.666667 0.333333 0.413692 P\n0.666667 0.333333 0.086308 P\n0.333333 0.666667 0.913692 P\n0.333333 0.666667 0.250000 P\n0.666667 0.333333 0.750000 P\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"P"
],
"chemical_system": "Ce-P-Zn",
"density": 5.044683743070566,
"density_atomic": 0.04954024272279492,
"volume": 282.59853465671836,
"volume_molar": 12.156058244803544,
"formula_full": "Ce2 Zn6 P6",
"formula_reduced": "Ce(ZnP)3",
"formula_anonymous": "AB3C3",
"energy": -60.134905970000005,
"energy_per_atom": -4.295350426428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.134905970000005,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.009469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.938000Z",
"spacegroup": 194
},
{
"id": "mp-27707",
"created_at": "2022-09-04T14:41:03.915441Z",
"structure_string": "Rb2 Co2 Cl6\n1.0\n3.579946 -6.200649 0.000000\n3.579946 6.200649 0.000000\n0.000000 0.000000 5.893534\nRb Co Cl\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.844057 0.155943 0.750000 Cl\n0.688114 0.844057 0.250000 Cl\n0.155943 0.311886 0.250000 Cl\n0.844057 0.688114 0.750000 Cl\n0.155943 0.844057 0.250000 Cl\n0.311886 0.155943 0.750000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Co",
"Cl"
],
"chemical_system": "Cl-Co-Rb",
"density": 3.182862906389398,
"density_atomic": 0.038219111562599106,
"volume": 261.6492009140766,
"volume_molar": 15.756883176460901,
"formula_full": "Rb2 Co2 Cl6",
"formula_reduced": "RbCoCl3",
"formula_anonymous": "ABC3",
"energy": -42.57212357,
"energy_per_atom": -4.257212357,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.88812357,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000249,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.177000Z",
"spacegroup": 194
},
{
"id": "mp-10333",
"created_at": "2022-09-04T14:41:04.166730Z",
"structure_string": "Pr2 Zn6 P6\n1.0\n2.031265 -3.518255 0.000000\n2.031265 3.518255 0.000000\n0.000000 0.000000 20.175182\nPr Zn P\n2 6 6\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.666667 0.333333 0.629863 Zn\n0.333333 0.666667 0.129863 Zn\n0.333333 0.666667 0.370137 Zn\n0.666667 0.333333 0.870137 Zn\n0.666667 0.333333 0.750000 P\n0.333333 0.666667 0.250000 P\n0.666667 0.333333 0.088310 P\n0.333333 0.666667 0.588310 P\n0.333333 0.666667 0.911690 P\n0.666667 0.333333 0.411690 P\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"Zn",
"P"
],
"chemical_system": "P-Pr-Zn",
"density": 4.952935631183134,
"density_atomic": 0.0485497144482116,
"volume": 288.3642089169015,
"volume_molar": 12.404070401740197,
"formula_full": "Pr2 Zn6 P6",
"formula_reduced": "Pr(ZnP)3",
"formula_anonymous": "AB3C3",
"energy": -57.82093501,
"energy_per_atom": -4.130066786428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.82093501,
"band_gap": 0.0285999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005452,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.017000Z",
"spacegroup": 194
},
{
"id": "mp-1100323",
"created_at": "2022-09-04T14:41:04.284028Z",
"structure_string": "Ca4 Sn4 S12\n1.0\n3.436950 -5.952972 0.000000\n3.436950 5.952972 0.000000\n0.000000 0.000000 12.252586\nCa Sn S\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.250000 Ca\n0.666667 0.333333 0.750000 Ca\n0.333333 0.666667 0.876577 Sn\n0.666667 0.333333 0.123423 Sn\n0.666667 0.333333 0.376577 Sn\n0.333333 0.666667 0.623423 Sn\n0.500000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.500000 0.000000 0.000000 S\n0.000000 0.500000 0.000000 S\n0.837153 0.162847 0.250000 S\n0.837153 0.674305 0.250000 S\n0.325695 0.162847 0.250000 S\n0.162847 0.837153 0.750000 S\n0.162847 0.325695 0.750000 S\n0.674305 0.837153 0.750000 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.377967805848391,
"density_atomic": 0.03989010564743008,
"volume": 501.3774637944209,
"volume_molar": 15.096828304309032,
"formula_full": "Ca4 Sn4 S12",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy": -92.39377753,
"energy_per_atom": -4.6196888765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.35777753,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008729,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.227000Z",
"spacegroup": 194
},
{
"id": "mp-1184049",
"created_at": "2022-09-04T14:41:04.992691Z",
"structure_string": "Ce2 Eu6\n1.0\n3.880813 -6.721766 0.000000\n3.880813 6.721766 0.000000\n0.000000 0.000000 6.308644\nCe Eu\n2 6\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.169951 0.339903 0.250000 Eu\n0.660097 0.830049 0.250000 Eu\n0.169951 0.830049 0.250000 Eu\n0.830049 0.660097 0.750000 Eu\n0.339903 0.169951 0.750000 Eu\n0.830049 0.169951 0.750000 Eu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Eu"
],
"chemical_system": "Ce-Eu",
"density": 6.013939571199297,
"density_atomic": 0.024306244635918954,
"volume": 329.1335259654989,
"volume_molar": 24.776105277491865,
"formula_full": "Ce2 Eu6",
"formula_reduced": "CeEu3",
"formula_anonymous": "AB3",
"energy": -72.21754846,
"energy_per_atom": -9.0271935575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.21754846,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 47.1890316,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.086000Z",
"spacegroup": 194
}
]
}