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=-is_theoretical&page=2",
"previous": null,
"results": [
{
"id": "mp-1214014",
"created_at": "2022-09-04T14:41:35.306414Z",
"structure_string": "Cs8 Na4 U4 Br24\n1.0\n11.687164 0.000000 0.000000\n0.000000 11.687164 0.000000\n0.000000 0.000000 11.687164\nCs Na U Br\n8 4 4 24\ndirect\n0.249147 0.249147 0.249147 Cs\n0.750853 0.750853 0.750853 Cs\n0.250853 0.750853 0.749147 Cs\n0.750853 0.749147 0.250853 Cs\n0.749147 0.249147 0.250853 Cs\n0.249147 0.250853 0.749147 Cs\n0.749147 0.250853 0.750853 Cs\n0.250853 0.749147 0.249147 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.993154 0.247303 0.006632 Br\n0.006846 0.752697 0.993368 Br\n0.506846 0.752697 0.506632 Br\n0.006846 0.747303 0.493368 Br\n0.006632 0.993154 0.247303 Br\n0.493154 0.247303 0.493368 Br\n0.993154 0.252697 0.506632 Br\n0.993368 0.006846 0.752697 Br\n0.493154 0.252697 0.993368 Br\n0.506632 0.506846 0.752697 Br\n0.506846 0.747303 0.006632 Br\n0.493368 0.493154 0.247303 Br\n0.493368 0.006846 0.747303 Br\n0.506632 0.993154 0.252697 Br\n0.993368 0.493154 0.252697 Br\n0.006632 0.506846 0.747303 Br\n0.247303 0.006632 0.993154 Br\n0.752697 0.993368 0.006846 Br\n0.747303 0.493368 0.006846 Br\n0.252697 0.506632 0.993154 Br\n0.252697 0.993368 0.493154 Br\n0.747303 0.006632 0.506846 Br\n0.752697 0.506632 0.506846 Br\n0.247303 0.493368 0.493154 Br\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Cs",
"Na",
"U",
"Br"
],
"chemical_system": "Br-Cs-Na-U",
"density": 4.1868665020895595,
"density_atomic": 0.025057202132338616,
"volume": 1596.347420942753,
"volume_molar": 24.033572176950575,
"formula_full": "Cs8 Na4 U4 Br24",
"formula_reduced": "Cs2NaUBr6",
"formula_anonymous": "ABC2D6",
"energy": -173.65805609,
"energy_per_atom": -4.34145140225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.84205609000003,
"band_gap": 0.1882000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.047724,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.702000Z",
"spacegroup": 205
},
{
"id": "mp-1223298",
"created_at": "2022-09-04T14:41:35.308817Z",
"structure_string": "La1 Ho4 C10\n1.0\n2.633181 10.032568 0.000000\n-2.633181 10.032568 0.000000\n0.000000 0.115944 4.091569\nLa Ho C\n1 4 10\ndirect\n0.000000 0.000000 0.000000 La\n0.600002 0.600002 0.403074 Ho\n0.201444 0.201444 0.794092 Ho\n0.798556 0.798556 0.205908 Ho\n0.399998 0.399998 0.596926 Ho\n0.086715 0.086715 0.519649 C\n0.679024 0.679024 0.927985 C\n0.279974 0.279974 0.324905 C\n0.871828 0.871828 0.731232 C\n0.479120 0.479120 0.126219 C\n0.520880 0.520880 0.873781 C\n0.128172 0.128172 0.268768 C\n0.720026 0.720026 0.675095 C\n0.320976 0.320976 0.072015 C\n0.913285 0.913285 0.480351 C\n",
"nsites": 15,
"nelements": 3,
"elements": [
"La",
"Ho",
"C"
],
"chemical_system": "C-Ho-La",
"density": 7.057096696193689,
"density_atomic": 0.06938707162346443,
"volume": 216.1785999760724,
"volume_molar": 8.67905305570427,
"formula_full": "La1 Ho4 C10",
"formula_reduced": "La(Ho2C5)2",
"formula_anonymous": "AB4C10",
"energy": -118.0502239,
"energy_per_atom": -7.870014926666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.0502239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053203,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.974000Z",
"spacegroup": 12
},
{
"id": "mp-780303",
"created_at": "2022-09-04T14:41:35.257572Z",
"structure_string": "Li4 Fe3 Sb1 O8\n1.0\n3.056264 5.234087 0.000000\n-3.056264 5.234087 0.000000\n0.000000 3.423471 5.049990\nLi Fe Sb O\n4 3 1 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Sb\n0.267272 0.267272 0.749587 O\n0.754104 0.238323 0.272727 O\n0.769068 0.769068 0.728306 O\n0.732728 0.732728 0.250413 O\n0.238323 0.754104 0.272727 O\n0.245896 0.761677 0.727273 O\n0.230932 0.230932 0.271694 O\n0.761677 0.245896 0.727273 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-Li-O-Sb",
"density": 4.574142440047263,
"density_atomic": 0.09903020221725382,
"volume": 161.5668719417434,
"volume_molar": 6.081115281162957,
"formula_full": "Li4 Fe3 Sb1 O8",
"formula_reduced": "Li4Fe3SbO8",
"formula_anonymous": "AB3C4D8",
"energy": -107.95218674,
"energy_per_atom": -6.74701167125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.68818674,
"band_gap": 0.8274999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.0001632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.565000Z",
"spacegroup": 12
},
{
"id": "mp-1008865",
"created_at": "2022-09-04T14:41:35.299909Z",
"structure_string": "Nd1 Cd2\n1.0\n2.556553 -4.428080 0.000000\n2.556553 4.428080 0.000000\n0.000000 0.000000 3.452303\nNd Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.666667 0.333333 0.500000 Cd\n0.333333 0.666667 0.500000 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Nd",
"Cd"
],
"chemical_system": "Cd-Nd",
"density": 7.8404614092349,
"density_atomic": 0.03838062957596311,
"volume": 78.16442911814114,
"volume_molar": 15.690573152482957,
"formula_full": "Nd1 Cd2",
"formula_reduced": "NdCd2",
"formula_anonymous": "AB2",
"energy": -7.630089270000001,
"energy_per_atom": -2.54336309,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.630089270000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0357699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.499000Z",
"spacegroup": 191
},
{
"id": "mp-1518286",
"created_at": "2022-09-04T14:41:35.317073Z",
"structure_string": "Sr1 Eu1 Dy1 Co1 O6\n1.0\n0.000000 -4.028906 -4.028906\n4.028906 0.000000 -4.028906\n4.028906 -4.028906 0.000000\nSr Eu Dy Co O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Dy\n-0.000000 0.000000 0.000000 Co\n0.769606 0.230394 0.230394 O\n0.230394 0.769606 0.769606 O\n0.769606 0.230394 0.769606 O\n0.230394 0.769606 0.230394 O\n0.769606 0.769606 0.230394 O\n0.230394 0.230394 0.769606 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Dy",
"Co",
"O"
],
"chemical_system": "Co-Dy-Eu-O-Sr",
"density": 7.071694528624317,
"density_atomic": 0.07645547659894109,
"volume": 130.79507766927583,
"volume_molar": 7.876663684395118,
"formula_full": "Sr1 Eu1 Dy1 Co1 O6",
"formula_reduced": "SrEuDyCoO6",
"formula_anonymous": "ABCDE6",
"energy": -79.63147278000001,
"energy_per_atom": -7.963147278000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.87147278,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.608000Z",
"spacegroup": 216
},
{
"id": "mp-1097183",
"created_at": "2022-09-04T14:41:35.270972Z",
"structure_string": "Li1 Pb1 Au2\n1.0\n-5.281349 5.997587 8.481456\n5.281349 -5.997587 8.481456\n5.281349 5.997587 -8.481456\nLi Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Pb\n0.000000 0.238679 0.238679 Au\n0.000000 0.761321 0.761321 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pb",
"Au"
],
"chemical_system": "Au-Li-Pb",
"density": 0.9396233524684197,
"density_atomic": 0.0037222724916502795,
"volume": 1074.6123527959635,
"volume_molar": 161.7866712743018,
"formula_full": "Li1 Pb1 Au2",
"formula_reduced": "LiPbAu2",
"formula_anonymous": "ABC2",
"energy": -8.65487493,
"energy_per_atom": -2.1637187325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.65487493,
"band_gap": 0.0362,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999403,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.508000Z",
"spacegroup": 71
},
{
"id": "mp-1224600",
"created_at": "2022-09-04T14:41:36.779437Z",
"structure_string": "K10 Mn4 Sn4 S17\n1.0\n7.225609 -7.164465 0.000000\n7.225609 7.164465 0.000000\n0.121770 0.000000 10.174683\nK Mn Sn S\n10 4 4 17\ndirect\n0.000487 0.000487 0.499227 K\n0.499227 0.000487 0.000487 K\n0.000487 0.499227 0.000487 K\n0.498336 0.955699 0.498336 K\n0.498336 0.498336 0.955699 K\n0.955699 0.498336 0.498336 K\n0.656141 0.329983 0.329983 K\n0.329983 0.656141 0.329983 K\n0.329983 0.329983 0.656141 K\n0.670673 0.670673 0.670673 K\n0.863865 0.136480 0.136480 Mn\n0.136480 0.863865 0.136480 Mn\n0.136480 0.136480 0.863865 Mn\n0.864104 0.864104 0.864104 Mn\n0.224227 0.224227 0.224227 Sn\n0.224736 0.775179 0.775179 Sn\n0.775179 0.775179 0.224736 Sn\n0.775179 0.224736 0.775179 Sn\n0.999207 0.999207 0.999207 S\n0.357129 0.357129 0.357129 S\n0.367243 0.643766 0.643766 S\n0.643766 0.643766 0.367243 S\n0.643766 0.367243 0.643766 S\n0.274045 0.993465 0.274045 S\n0.274045 0.274045 0.993465 S\n0.993465 0.274045 0.274045 S\n0.274313 0.004714 0.723856 S\n0.274313 0.723856 0.004714 S\n0.996147 0.724808 0.724808 S\n0.723856 0.004714 0.274313 S\n0.724808 0.724808 0.996147 S\n0.004714 0.723856 0.274313 S\n0.724808 0.996147 0.724808 S\n0.723856 0.274313 0.004714 S\n0.004714 0.274313 0.723856 S\n",
"nsites": 35,
"nelements": 4,
"elements": [
"K",
"Mn",
"Sn",
"S"
],
"chemical_system": "K-Mn-S-Sn",
"density": 2.570447776909869,
"density_atomic": 0.03322453711889357,
"volume": 1053.4383029853195,
"volume_molar": 18.12558212158035,
"formula_full": "K10 Mn4 Sn4 S17",
"formula_reduced": "K10Mn4Sn4S17",
"formula_anonymous": "A4B4C10D17",
"energy": -173.74929271,
"energy_per_atom": -4.964265505999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.19829271,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 20.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.926000Z",
"spacegroup": 160
},
{
"id": "mp-560131",
"created_at": "2022-09-04T14:41:35.260418Z",
"structure_string": "Si8 O16\n1.0\n-6.479032 6.479032 2.567979\n6.479032 -6.479032 2.567979\n6.479032 6.479032 -2.567979\nSi O\n8 16\ndirect\n0.928721 0.928721 0.399620 Si\n0.470899 0.071279 0.000000 Si\n0.500000 0.654390 0.154390 Si\n0.529101 0.529101 0.600380 Si\n0.345610 0.500000 0.845610 Si\n0.654390 0.500000 0.154390 Si\n0.500000 0.345610 0.845610 Si\n0.071279 0.470899 0.000000 Si\n0.253380 0.253380 0.841128 O\n0.087972 0.385696 0.852641 O\n0.252359 0.252359 0.467820 O\n0.412251 0.412251 0.158872 O\n0.215461 0.747641 0.000000 O\n0.235331 0.533055 0.147359 O\n0.533055 0.235331 0.147359 O\n0.784539 0.784539 0.532180 O\n0.466945 0.614304 0.702276 O\n0.912028 0.764669 0.297724 O\n0.587749 0.746620 0.000000 O\n0.746620 0.587749 0.000000 O\n0.747641 0.215461 0.000000 O\n0.764669 0.912028 0.297724 O\n0.614304 0.466945 0.702276 O\n0.385696 0.087972 0.852641 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.8510936083004257,
"density_atomic": 0.05565952972560464,
"volume": 431.1930071690753,
"volume_molar": 10.819604099582753,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -198.77977993,
"energy_per_atom": -8.282490830416666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.78777993,
"band_gap": 5.685499999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0011337,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.183000Z",
"spacegroup": 121
},
{
"id": "mp-764354",
"created_at": "2022-09-04T14:41:35.315051Z",
"structure_string": "Li4 Mn4 F20\n1.0\n5.472968 0.000000 0.000000\n0.000000 5.472968 0.000000\n0.000000 0.000000 11.492108\nLi Mn F\n4 4 20\ndirect\n0.053905 0.315434 0.846430 Li\n0.315434 0.946095 0.596430 Li\n0.684566 0.053905 0.096430 Li\n0.946095 0.684566 0.346430 Li\n0.184709 0.480714 0.117136 Mn\n0.480714 0.815291 0.867136 Mn\n0.519286 0.184709 0.367136 Mn\n0.815291 0.519286 0.617136 Mn\n0.002180 0.728678 0.180915 F\n0.018757 0.769478 0.647964 F\n0.011458 0.515956 0.985308 F\n0.282481 0.429888 0.286288 F\n0.271322 0.002180 0.430915 F\n0.230522 0.018757 0.897964 F\n0.279410 0.583743 0.811488 F\n0.484044 0.011458 0.235308 F\n0.583743 0.720590 0.561488 F\n0.429888 0.717519 0.036288 F\n0.570112 0.282481 0.536288 F\n0.416257 0.279410 0.061488 F\n0.515956 0.988542 0.735308 F\n0.720590 0.416257 0.311488 F\n0.769478 0.981243 0.397964 F\n0.728678 0.997820 0.930915 F\n0.717519 0.570112 0.786288 F\n0.988542 0.484044 0.485308 F\n0.981243 0.230522 0.147964 F\n0.997820 0.271322 0.680915 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.026958078219434,
"density_atomic": 0.0813415633082841,
"volume": 344.22746331884656,
"volume_molar": 7.403522277013681,
"formula_full": "Li4 Mn4 F20",
"formula_reduced": "LiMnF5",
"formula_anonymous": "ABC5",
"energy": -155.53001987000002,
"energy_per_atom": -5.554643566785715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.61801987,
"band_gap": 1.652,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.998839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.692000Z",
"spacegroup": 76
},
{
"id": "mp-976830",
"created_at": "2022-09-04T14:41:35.289109Z",
"structure_string": "Ni3 Pb1\n1.0\n3.808506 0.000000 0.000000\n0.000000 3.808506 0.000000\n0.000000 0.000000 3.808506\nNi Pb\n3 1\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"Pb"
],
"chemical_system": "Ni-Pb",
"density": 11.521301705988142,
"density_atomic": 0.07240958508774101,
"volume": 55.241305348636814,
"volume_molar": 8.316772914390794,
"formula_full": "Ni3 Pb1",
"formula_reduced": "Ni3Pb",
"formula_anonymous": "AB3",
"energy": -20.49838128,
"energy_per_atom": -5.12459532,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.49838128,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.332000Z",
"spacegroup": 221
},
{
"id": "mp-972960",
"created_at": "2022-09-04T14:41:35.293224Z",
"structure_string": "La2 Ir1 Au1\n1.0\n0.000000 3.688567 3.688567\n3.688567 0.000000 3.688567\n3.688567 3.688567 0.000000\nLa Ir Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ir",
"Au"
],
"chemical_system": "Au-Ir-La",
"density": 11.034898197835924,
"density_atomic": 0.03985262807769425,
"volume": 100.36979223056116,
"volume_molar": 15.11102542160984,
"formula_full": "La2 Ir1 Au1",
"formula_reduced": "La2IrAu",
"formula_anonymous": "ABC2",
"energy": -24.818323,
"energy_per_atom": -6.20458075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.818323,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.969000Z",
"spacegroup": 225
},
{
"id": "mp-1217941",
"created_at": "2022-09-04T14:41:35.314427Z",
"structure_string": "Ta2 Fe8 Si2\n1.0\n2.393762 -4.146118 0.000000\n2.393762 4.146118 0.000000\n0.000000 0.000000 7.514759\nTa Fe Si\n2 8 2\ndirect\n0.666667 0.333333 0.920625 Ta\n0.333333 0.666667 0.079375 Ta\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.829441 0.170559 0.256079 Fe\n0.829441 0.658881 0.256079 Fe\n0.341119 0.170559 0.256079 Fe\n0.170559 0.829441 0.743921 Fe\n0.170559 0.341119 0.743921 Fe\n0.658881 0.829441 0.743921 Fe\n0.333333 0.666667 0.442525 Si\n0.666667 0.333333 0.557475 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Ta",
"density": 9.62743371929215,
"density_atomic": 0.08044768786088469,
"volume": 149.16525656711443,
"volume_molar": 7.485784762905645,
"formula_full": "Ta2 Fe8 Si2",
"formula_reduced": "TaFe4Si",
"formula_anonymous": "ABC4",
"energy": -103.37889287,
"energy_per_atom": -8.614907739166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.52089287,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.8701067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.614000Z",
"spacegroup": 164
}
]
}