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=104",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=102",
"results": [
{
"id": "mp-1408959",
"created_at": "2022-09-04T14:46:15.093092Z",
"structure_string": "Y2 Fe4 O8\n1.0\n0.000000 4.479005 4.479005\n4.479005 0.000000 4.479005\n4.479005 4.479005 0.000000\nY Fe O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Y\n0.125000 0.125000 0.625000 Fe\n0.125000 0.125000 0.125000 Fe\n0.125000 0.625000 0.125000 Fe\n0.625000 0.125000 0.125000 Fe\n0.889292 0.332125 0.889292 O\n0.917875 0.360708 0.360708 O\n0.360708 0.360708 0.917875 O\n0.360708 0.360708 0.360708 O\n0.332125 0.889292 0.889292 O\n0.360708 0.917875 0.360708 O\n0.889292 0.889292 0.332125 O\n0.889292 0.889292 0.889292 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Fe",
"O"
],
"chemical_system": "Fe-O-Y",
"density": 4.88971497741423,
"density_atomic": 0.0779028593349963,
"volume": 179.71099032190185,
"volume_molar": 7.73032057026779,
"formula_full": "Y2 Fe4 O8",
"formula_reduced": "Y(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -117.90582542,
"energy_per_atom": -8.421844672857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.38582542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9999145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.068000Z",
"spacegroup": 227
},
{
"id": "mp-1199068",
"created_at": "2022-09-04T14:43:08.925472Z",
"structure_string": "Pr2 Cd40 Ni4\n1.0\n0.000000 7.905750 7.905750\n7.905750 0.000000 7.905750\n7.905750 7.905750 0.000000\nPr Cd Ni\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Pr\n0.569091 0.300178 0.300178 Cd\n0.300178 0.569091 0.830552 Cd\n0.300178 0.830552 0.569091 Cd\n0.830552 0.300178 0.300178 Cd\n0.300178 0.300178 0.569091 Cd\n0.569091 0.830552 0.300178 Cd\n0.830552 0.569091 0.300178 Cd\n0.300178 0.300178 0.830552 Cd\n0.300178 0.569091 0.300178 Cd\n0.830552 0.300178 0.569091 Cd\n0.569091 0.300178 0.830552 Cd\n0.300178 0.830552 0.300178 Cd\n0.680909 0.949822 0.949822 Cd\n0.949822 0.680909 0.419448 Cd\n0.949822 0.419448 0.680909 Cd\n0.419448 0.949822 0.949822 Cd\n0.949822 0.949822 0.680909 Cd\n0.680909 0.419448 0.949822 Cd\n0.419448 0.680909 0.949822 Cd\n0.949822 0.949822 0.419448 Cd\n0.949822 0.680909 0.949822 Cd\n0.419448 0.949822 0.680909 Cd\n0.680909 0.949822 0.419448 Cd\n0.949822 0.419448 0.949822 Cd\n0.863430 0.863430 0.136570 Cd\n0.136570 0.136570 0.863430 Cd\n0.863430 0.136570 0.863430 Cd\n0.136570 0.863430 0.136570 Cd\n0.136570 0.863430 0.863430 Cd\n0.863430 0.136570 0.136570 Cd\n0.386570 0.386570 0.113430 Cd\n0.113430 0.113430 0.386570 Cd\n0.386570 0.113430 0.386570 Cd\n0.113430 0.386570 0.113430 Cd\n0.113430 0.386570 0.386570 Cd\n0.386570 0.113430 0.113430 Cd\n0.125000 0.625000 0.625000 Cd\n0.625000 0.125000 0.625000 Cd\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625000 Cd\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Pr",
"Cd",
"Ni"
],
"chemical_system": "Cd-Ni-Pr",
"density": 8.423451505694805,
"density_atomic": 0.0465477406446526,
"volume": 988.2327125427188,
"volume_molar": 12.9375576055845,
"formula_full": "Pr2 Cd40 Ni4",
"formula_reduced": "Pr(Cd10Ni)2",
"formula_anonymous": "AB2C20",
"energy": -74.11953593,
"energy_per_atom": -1.611294259347826,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.11953593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0303562,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.408000Z",
"spacegroup": 227
},
{
"id": "mp-1211134",
"created_at": "2022-09-04T14:43:08.468363Z",
"structure_string": "Li4 Al8\n1.0\n-4.795409 -4.795409 0.000000\n-4.795409 0.000000 -4.795409\n0.000000 -4.795409 -4.795409\nLi Al\n4 8\ndirect\n0.875000 0.875000 0.875000 Li\n0.375000 0.875000 0.875000 Li\n0.875000 0.375000 0.875000 Li\n0.875000 0.875000 0.375000 Li\n0.601527 0.601527 0.601527 Al\n0.195419 0.601527 0.601527 Al\n0.601527 0.195419 0.601527 Al\n0.554581 0.148473 0.148473 Al\n0.148473 0.148473 0.148473 Al\n0.601527 0.601527 0.195419 Al\n0.148473 0.554581 0.148473 Al\n0.148473 0.148473 0.554581 Al\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Li",
"Al"
],
"chemical_system": "Al-Li",
"density": 1.8342076411275097,
"density_atomic": 0.05440944404501037,
"volume": 220.54994699216124,
"volume_molar": 11.068190211644447,
"formula_full": "Li4 Al8",
"formula_reduced": "LiAl2",
"formula_anonymous": "AB2",
"energy": -34.71088895,
"energy_per_atom": -2.8925740791666663,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.71088895,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036161,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.285000Z",
"spacegroup": 227
},
{
"id": "mp-558960",
"created_at": "2022-09-04T14:43:08.784959Z",
"structure_string": "Dy4 Tc4 O14\n1.0\n0.000000 5.158485 5.158485\n5.158485 0.000000 5.158485\n5.158485 5.158485 0.000000\nDy Tc O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Dy\n0.125000 0.625000 0.125000 Dy\n0.125000 0.125000 0.625000 Dy\n0.125000 0.125000 0.125000 Dy\n0.625000 0.125000 0.625000 Tc\n0.625000 0.625000 0.125000 Tc\n0.125000 0.625000 0.625000 Tc\n0.625000 0.625000 0.625000 Tc\n0.536684 0.963316 0.536684 O\n0.286684 0.713316 0.286684 O\n0.286684 0.286684 0.713316 O\n0.286684 0.713316 0.713316 O\n0.536684 0.963316 0.963316 O\n0.713316 0.286684 0.286684 O\n0.536684 0.536684 0.963316 O\n0.000000 0.000000 0.000000 O\n0.963316 0.536684 0.536684 O\n0.713316 0.286684 0.713316 O\n0.963316 0.536684 0.963316 O\n0.250000 0.250000 0.250000 O\n0.963316 0.963316 0.536684 O\n0.713316 0.713316 0.286684 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Tc",
"O"
],
"chemical_system": "Dy-O-Tc",
"density": 7.657436601507784,
"density_atomic": 0.08013572475534778,
"volume": 274.5342363492114,
"volume_molar": 7.514926430609362,
"formula_full": "Dy4 Tc4 O14",
"formula_reduced": "Dy2Tc2O7",
"formula_anonymous": "A2B2C7",
"energy": -191.30769734000003,
"energy_per_atom": -8.695804424545456,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.68969734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9975366,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.868000Z",
"spacegroup": 227
},
{
"id": "mp-1208384",
"created_at": "2022-09-04T14:43:09.745111Z",
"structure_string": "Ta8 V2\n1.0\n-4.655668 -4.655668 0.000000\n-4.655668 0.000000 -4.655668\n0.000000 -4.655668 -4.655668\nTa V\n8 2\ndirect\n0.603548 0.603548 0.603548 Ta\n0.189357 0.603548 0.603548 Ta\n0.603548 0.189357 0.603548 Ta\n0.560643 0.146452 0.146452 Ta\n0.146452 0.146452 0.146452 Ta\n0.603548 0.603548 0.189357 Ta\n0.146452 0.560643 0.146452 Ta\n0.146452 0.146452 0.560643 Ta\n0.000000 0.000000 0.000000 V\n0.750000 0.750000 0.750000 V\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ta",
"V"
],
"chemical_system": "Ta-V",
"density": 12.748384556341305,
"density_atomic": 0.04954775665004471,
"volume": 201.8254846658325,
"volume_molar": 12.154214776128647,
"formula_full": "Ta8 V2",
"formula_reduced": "Ta4V",
"formula_anonymous": "AB4",
"energy": -98.61915162,
"energy_per_atom": -9.861915161999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.61915162,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.286000Z",
"spacegroup": 227
},
{
"id": "mp-756338",
"created_at": "2022-09-04T14:43:10.440411Z",
"structure_string": "Na2 V4 O8\n1.0\n0.000000 4.312121 4.312121\n4.312121 0.000000 4.312121\n4.312121 4.312121 0.000000\nNa V O\n2 4 8\ndirect\n0.625000 0.625000 0.625000 Na\n0.375000 0.375000 0.375000 Na\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.191788 0.769404 0.769404 O\n0.769404 0.191788 0.769404 O\n0.769404 0.769404 0.769404 O\n0.769404 0.769404 0.191788 O\n0.230596 0.230596 0.808212 O\n0.230596 0.230596 0.230596 O\n0.230596 0.808212 0.230596 O\n0.808212 0.230596 0.230596 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 3.911470961231708,
"density_atomic": 0.08730220713597724,
"volume": 160.36249780253954,
"volume_molar": 6.898039531372026,
"formula_full": "Na2 V4 O8",
"formula_reduced": "NaV2O4",
"formula_anonymous": "AB2C4",
"energy": -111.07697985,
"energy_per_atom": -7.934069989285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.78097985,
"band_gap": 0.0407999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.0000131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.203000Z",
"spacegroup": 227
},
{
"id": "mp-756271",
"created_at": "2022-09-04T14:43:10.165135Z",
"structure_string": "Cu2 Ni4 O8\n1.0\n-4.130084 4.130084 0.000000\n4.130084 0.000000 4.130084\n4.130084 4.130084 0.000000\nCu Ni O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.500000 0.250000 Cu\n0.625000 0.250000 0.125000 Ni\n0.625000 0.250000 0.625000 Ni\n0.625000 0.750000 0.625000 Ni\n0.125000 0.750000 0.625000 Ni\n0.846742 0.231161 0.384420 O\n0.384420 0.231161 0.384420 O\n0.865580 0.268839 0.865580 O\n0.865580 0.731161 0.403258 O\n0.403258 0.268839 0.865580 O\n0.865580 0.731161 0.865580 O\n0.384420 0.768839 0.384420 O\n0.384420 0.768839 0.846742 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Ni",
"O"
],
"chemical_system": "Cu-Ni-O",
"density": 5.77318048870885,
"density_atomic": 0.09936224283932697,
"volume": 140.89859085244888,
"volume_molar": 6.0607939071363965,
"formula_full": "Cu2 Ni4 O8",
"formula_reduced": "Cu(NiO2)2",
"formula_anonymous": "AB2C4",
"energy": -84.61884737,
"energy_per_atom": -6.044203383571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.95884737,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0078852,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.913000Z",
"spacegroup": 227
},
{
"id": "mp-2529",
"created_at": "2022-09-04T14:43:10.519657Z",
"structure_string": "Pr2 Rh4\n1.0\n0.000000 3.852736 3.852736\n3.852736 0.000000 3.852736\n3.852736 3.852736 0.000000\nPr Rh\n2 4\ndirect\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Pr\n0.125000 0.125000 0.625000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pr",
"Rh"
],
"chemical_system": "Pr-Rh",
"density": 10.067428351841885,
"density_atomic": 0.05245821415746588,
"volume": 114.37674912053934,
"volume_molar": 11.479881381251571,
"formula_full": "Pr2 Rh4",
"formula_reduced": "PrRh2",
"formula_anonymous": "AB2",
"energy": -42.80369227,
"energy_per_atom": -7.133948711666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.80369227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001144,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.420000Z",
"spacegroup": 227
},
{
"id": "mp-1687",
"created_at": "2022-09-04T14:43:10.583161Z",
"structure_string": "Ba2 Pd4\n1.0\n0.000000 4.066125 4.066125\n4.066125 0.000000 4.066125\n4.066125 4.066125 0.000000\nBa Pd\n2 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Ba\n0.125000 0.125000 0.125000 Pd\n0.625000 0.125000 0.125000 Pd\n0.125000 0.625000 0.125000 Pd\n0.125000 0.125000 0.625000 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Pd"
],
"chemical_system": "Ba-Pd",
"density": 8.649323412504696,
"density_atomic": 0.04462508724711391,
"volume": 134.45351864019145,
"volume_molar": 13.494966915475278,
"formula_full": "Ba2 Pd4",
"formula_reduced": "BaPd2",
"formula_anonymous": "AB2",
"energy": -28.02422061,
"energy_per_atom": -4.670703435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.02422061,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057622,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.209000Z",
"spacegroup": 227
},
{
"id": "mp-2235",
"created_at": "2022-09-04T14:43:10.858754Z",
"structure_string": "Yb2 Rh4\n1.0\n0.000000 3.750454 3.750454\n3.750454 0.000000 3.750454\n3.750454 3.750454 0.000000\nYb Rh\n2 4\ndirect\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.125000 0.125000 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Rh"
],
"chemical_system": "Rh-Yb",
"density": 11.925209187458986,
"density_atomic": 0.05686823184640483,
"volume": 105.50706088779715,
"volume_molar": 10.589639530670084,
"formula_full": "Yb2 Rh4",
"formula_reduced": "YbRh2",
"formula_anonymous": "AB2",
"energy": -36.07538019,
"energy_per_atom": -6.012563364999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.07538019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0316966,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.937000Z",
"spacegroup": 227
},
{
"id": "mp-642754",
"created_at": "2022-09-04T14:43:11.223614Z",
"structure_string": "Gd4 Mo4 O14\n1.0\n0.000000 5.254932 5.254932\n5.254932 0.000000 5.254932\n5.254932 5.254932 0.000000\nGd Mo O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Gd\n0.125000 0.625000 0.125000 Gd\n0.125000 0.125000 0.625000 Gd\n0.125000 0.125000 0.125000 Gd\n0.125000 0.625000 0.625000 Mo\n0.625000 0.125000 0.625000 Mo\n0.625000 0.625000 0.125000 Mo\n0.625000 0.625000 0.625000 Mo\n0.711491 0.711491 0.288509 O\n0.288509 0.288509 0.711491 O\n0.711491 0.288509 0.711491 O\n0.288509 0.711491 0.288509 O\n0.288509 0.711491 0.711491 O\n0.711491 0.288509 0.288509 O\n0.538509 0.538509 0.961491 O\n0.961491 0.961491 0.538509 O\n0.538509 0.961491 0.538509 O\n0.961491 0.538509 0.961491 O\n0.961491 0.538509 0.538509 O\n0.538509 0.961491 0.961491 O\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Gd",
"Mo",
"O"
],
"chemical_system": "Gd-Mo-O",
"density": 7.076202963581,
"density_atomic": 0.0758038709446819,
"volume": 290.2226459655941,
"volume_molar": 7.9443710261111535,
"formula_full": "Gd4 Mo4 O14",
"formula_reduced": "Gd2Mo2O7",
"formula_anonymous": "A2B2C7",
"energy": -232.3145478,
"energy_per_atom": -10.559752172727274,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -209.8885478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 35.9992277,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.276000Z",
"spacegroup": 227
},
{
"id": "mp-1209855",
"created_at": "2022-09-04T14:43:12.217767Z",
"structure_string": "Pu8 Mn2\n1.0\n-4.558961 -4.558961 0.000000\n-4.558961 0.000000 -4.558961\n0.000000 -4.558961 -4.558961\nPu Mn\n8 2\ndirect\n0.597669 0.597669 0.597669 Pu\n0.206993 0.597669 0.597669 Pu\n0.597669 0.206993 0.597669 Pu\n0.543007 0.152331 0.152331 Pu\n0.152331 0.152331 0.152331 Pu\n0.597669 0.597669 0.206993 Pu\n0.152331 0.543007 0.152331 Pu\n0.152331 0.152331 0.543007 Pu\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Mn\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pu",
"Mn"
],
"chemical_system": "Mn-Pu",
"density": 18.06691632798572,
"density_atomic": 0.05276821133508163,
"volume": 189.5080342310513,
"volume_molar": 11.412440572902895,
"formula_full": "Pu8 Mn2",
"formula_reduced": "Pu4Mn",
"formula_anonymous": "AB4",
"energy": -122.04200081,
"energy_per_atom": -12.204200081,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.04200081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5452655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.421000Z",
"spacegroup": 227
}
]
}