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=formula_anonymous&page=12147",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12145",
"results": [
{
"id": "mp-1049266",
"created_at": "2022-09-04T14:44:07.257878Z",
"structure_string": "La2 Mg2 Ta2 Cr2 O12\n1.0\n5.537816 0.000000 0.000000\n0.000000 5.340928 0.000000\n0.000000 5.264535 8.591949\nLa Mg Ta Cr O\n2 2 2 2 12\ndirect\n0.297042 0.775866 0.245049 La\n0.702958 0.775866 0.745049 La\n0.802759 0.212421 0.260458 Mg\n0.197241 0.212421 0.760458 Mg\n0.243168 0.501617 0.997507 Ta\n0.756832 0.501617 0.497507 Ta\n0.254756 0.013808 0.494640 Cr\n0.745244 0.013808 0.994640 Cr\n0.830075 0.390395 0.716287 O\n0.035113 0.157576 0.055067 O\n0.027035 0.797120 0.419094 O\n0.546748 0.239262 0.082113 O\n0.557884 0.862337 0.438747 O\n0.298288 0.549594 0.791039 O\n0.169925 0.390395 0.216287 O\n0.964887 0.157576 0.555067 O\n0.972965 0.797120 0.919094 O\n0.453252 0.239262 0.582113 O\n0.442116 0.862337 0.938747 O\n0.701712 0.549594 0.291039 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Ta",
"Cr",
"O"
],
"chemical_system": "Cr-La-Mg-O-Ta",
"density": 6.4317683916762665,
"density_atomic": 0.0787015091079871,
"volume": 254.1247331427636,
"volume_molar": 7.651874567915798,
"formula_full": "La2 Mg2 Ta2 Cr2 O12",
"formula_reduced": "LaMgTaCrO6",
"formula_anonymous": "ABCDE6",
"energy": -178.13951372999998,
"energy_per_atom": -8.9069756865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.89751373,
"band_gap": 2.1235,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0001074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.401000Z",
"spacegroup": 7
},
{
"id": "mp-1518381",
"created_at": "2022-09-04T14:44:12.223621Z",
"structure_string": "Sr2 Ca2 Nd2 Sb2 O12\n1.0\n5.850359 0.003961 -0.019493\n-0.005150 5.996537 -0.005064\n-0.042711 -0.019042 8.384883\nSr Ca Nd Sb O\n2 2 2 2 12\ndirect\n0.510606 0.546669 0.249834 Sr\n0.489394 0.453331 0.750166 Sr\n0.986509 0.046545 0.253212 Ca\n0.013491 0.953455 0.746788 Ca\n0.000000 0.500000 0.000000 Nd\n0.500000 -0.000000 0.500000 Nd\n0.500000 -0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.221246 0.182141 0.938206 O\n0.279758 0.685148 0.545634 O\n0.778754 0.817859 0.061794 O\n0.720242 0.314852 0.454366 O\n0.322288 0.720812 0.945547 O\n0.173854 0.217657 0.561333 O\n0.677712 0.279188 0.054453 O\n0.826146 0.782343 0.438667 O\n0.384169 0.970146 0.228119 O\n0.093758 0.445062 0.270950 O\n0.615831 0.029854 0.771881 O\n0.906242 0.554938 0.729050 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Nd",
"Sb",
"O"
],
"chemical_system": "Ca-Nd-O-Sb-Sr",
"density": 5.5288386486647525,
"density_atomic": 0.06799201422165554,
"volume": 294.1521916794454,
"volume_molar": 8.857129515780606,
"formula_full": "Sr2 Ca2 Nd2 Sb2 O12",
"formula_reduced": "SrCaNdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -145.04450627,
"energy_per_atom": -7.2522253135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.80050627,
"band_gap": 3.4296,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.478000Z",
"spacegroup": 2
},
{
"id": "mp-1218351",
"created_at": "2022-09-04T14:44:12.482814Z",
"structure_string": "Sr2 Ca2 Ti2 Mn2 O12\n1.0\n-2.747365 -2.747332 -0.000023\n-5.474390 5.474333 -0.000023\n-0.000049 -0.000016 -7.735730\nSr Ca Ti Mn O\n2 2 2 2 12\ndirect\n0.500006 0.251171 0.250016 Sr\n0.500007 0.251170 0.749991 Sr\n0.499999 0.735902 0.249982 Ca\n0.500000 0.735902 0.750018 Ca\n0.000002 0.990686 0.000001 Ti\n0.999999 0.990737 0.500002 Ti\n0.999996 0.499413 0.500002 Mn\n0.000002 0.499375 0.000003 Mn\n0.999997 0.257014 0.999998 O\n0.999999 0.257029 0.500004 O\n0.000004 0.746734 0.999996 O\n0.999999 0.746767 0.499999 O\n0.500001 0.997704 0.999995 O\n0.500000 0.997761 0.499999 O\n0.999994 0.997671 0.249999 O\n0.999995 0.997671 0.749999 O\n0.500004 0.513613 0.999995 O\n0.500001 0.513603 0.500000 O\n0.999996 0.510037 0.249997 O\n0.999996 0.510039 0.750005 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.659968875752947,
"density_atomic": 0.08595110633863763,
"volume": 232.69043124590235,
"volume_molar": 7.006472652339631,
"formula_full": "Sr2 Ca2 Ti2 Mn2 O12",
"formula_reduced": "SrCaTiMnO6",
"formula_anonymous": "ABCDE6",
"energy": -160.67276189,
"energy_per_atom": -8.0336380945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.09276189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0003215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.463000Z",
"spacegroup": 99
},
{
"id": "mp-1517759",
"created_at": "2022-09-04T14:44:07.217445Z",
"structure_string": "K1 Pr1 Y1 Nb1 O6\n1.0\n-0.000000 -4.203760 -4.203760\n4.203760 0.000000 -4.203760\n4.203760 -4.203760 -0.000000\nK Pr Y Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Y\n-0.000000 -0.000000 -0.000000 Nb\n0.762195 0.237805 0.237805 O\n0.237805 0.762195 0.762195 O\n0.762195 0.237805 0.762195 O\n0.237805 0.762195 0.237805 O\n0.762195 0.762195 0.237805 O\n0.237805 0.237805 0.762195 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Pr",
"Y",
"Nb",
"O"
],
"chemical_system": "K-Nb-O-Pr-Y",
"density": 5.116759222523113,
"density_atomic": 0.06730638478947297,
"volume": 148.57431477383474,
"volume_molar": 8.947354368885804,
"formula_full": "K1 Pr1 Y1 Nb1 O6",
"formula_reduced": "KPrYNbO6",
"formula_anonymous": "ABCDE6",
"energy": -83.821679,
"energy_per_atom": -8.3821679,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.699679,
"band_gap": 2.4244000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.382000Z",
"spacegroup": 216
},
{
"id": "mp-1218316",
"created_at": "2022-09-04T14:44:14.799248Z",
"structure_string": "Sr1 La1 Ti1 Fe1 O6\n1.0\n-2.188150 2.188150 -8.863181\n2.188150 -2.188150 -8.863181\n-2.183872 -2.183872 -8.863181\nSr La Ti Fe O\n1 1 1 1 6\ndirect\n0.809263 0.309263 0.500000 Sr\n0.194535 0.694535 0.500000 La\n0.501688 0.001688 0.500000 Ti\n0.999545 0.499545 0.500000 Fe\n0.745393 0.745393 0.000000 O\n0.245393 0.245393 0.000000 O\n0.808322 0.308322 0.003984 O\n0.312306 0.812306 0.996016 O\n0.198555 0.185001 0.500000 O\n0.685001 0.698555 0.500000 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"La",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-La-O-Sr-Ti",
"density": 4.177756993493446,
"density_atomic": 0.0590263760235346,
"volume": 169.41578788460376,
"volume_molar": 10.202457216073864,
"formula_full": "Sr1 La1 Ti1 Fe1 O6",
"formula_reduced": "SrLaTiFeO6",
"formula_anonymous": "ABCDE6",
"energy": -82.61090671,
"energy_per_atom": -8.261090671,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.23290671,
"band_gap": 1.0835000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0026381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.360000Z",
"spacegroup": 42
},
{
"id": "mp-1517903",
"created_at": "2022-09-04T14:44:11.183576Z",
"structure_string": "Na1 La1 Dy1 Mn1 O6\n1.0\n-0.000000 -4.066270 -4.066270\n4.066270 -0.000000 -4.066270\n4.066270 -4.066270 0.000000\nNa La Dy Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 La\n-0.000000 -0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Mn\n0.732497 0.267503 0.267503 O\n0.267503 0.732497 0.732497 O\n0.732497 0.267503 0.732497 O\n0.267503 0.732497 0.267503 O\n0.732497 0.732497 0.267503 O\n0.267503 0.267503 0.732497 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"La",
"Dy",
"Mn",
"O"
],
"chemical_system": "Dy-La-Mn-Na-O",
"density": 5.869828349763057,
"density_atomic": 0.07436718921746252,
"volume": 134.4679031872278,
"volume_molar": 8.097846406955385,
"formula_full": "Na1 La1 Dy1 Mn1 O6",
"formula_reduced": "NaLaDyMnO6",
"formula_anonymous": "ABCDE6",
"energy": -76.38022992,
"energy_per_atom": -7.638022992000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.59022992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.748000Z",
"spacegroup": 216
},
{
"id": "mp-39249",
"created_at": "2022-09-04T14:44:15.510292Z",
"structure_string": "Ba1 La1 Mg1 Ru1 O6\n1.0\n-2.832376 2.832376 4.074920\n2.832376 -2.832376 4.074920\n2.832376 2.832376 -4.074920\nBa La Mg Ru O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 La\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Ru\n0.993381 0.493381 0.500000 O\n0.535731 0.522273 0.592774 O\n0.057043 0.464269 0.986542 O\n0.506619 0.006619 0.500000 O\n0.477727 0.070501 0.013458 O\n0.929499 0.942957 0.407226 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Mg",
"Ru",
"O"
],
"chemical_system": "Ba-La-Mg-O-Ru",
"density": 6.319052403836218,
"density_atomic": 0.0764749338843944,
"volume": 130.76179987441108,
"volume_molar": 7.874659648746539,
"formula_full": "Ba1 La1 Mg1 Ru1 O6",
"formula_reduced": "BaLaMgRuO6",
"formula_anonymous": "ABCDE6",
"energy": -75.01141921,
"energy_per_atom": -7.501141921,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.88941921,
"band_gap": 0.1981000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.003261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.880000Z",
"spacegroup": 82
},
{
"id": "mp-1517467",
"created_at": "2022-09-04T14:44:12.510489Z",
"structure_string": "Ca1 Zr1 Nb1 In1 O6\n1.0\n0.000000 -4.129911 -4.129911\n4.129911 -0.000000 -4.129911\n4.129911 -4.129911 0.000000\nCa Zr Nb In O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 In\n0.755802 0.244198 0.244198 O\n0.244198 0.755802 0.755802 O\n0.755802 0.244198 0.755802 O\n0.244198 0.755802 0.244198 O\n0.755802 0.755802 0.244198 O\n0.244198 0.244198 0.755802 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Zr",
"Nb",
"In",
"O"
],
"chemical_system": "Ca-In-Nb-O-Zr",
"density": 5.127539601195797,
"density_atomic": 0.07098195005223955,
"volume": 140.88088581168094,
"volume_molar": 8.484045247514295,
"formula_full": "Ca1 Zr1 Nb1 In1 O6",
"formula_reduced": "CaZrNbInO6",
"formula_anonymous": "ABCDE6",
"energy": -82.38177242999998,
"energy_per_atom": -8.238177242999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.25977243,
"band_gap": 0.5202,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.074000Z",
"spacegroup": 216
},
{
"id": "mp-1522081",
"created_at": "2022-09-04T14:44:06.410072Z",
"structure_string": "Sr1 Eu1 Y1 Fe1 O6\n1.0\n0.000000 -4.044078 -4.044078\n4.044078 0.000000 -4.044078\n4.044078 -4.044078 -0.000000\nSr Eu Y Fe 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 Y\n0.000000 -0.000000 0.000000 Fe\n0.766063 0.233937 0.233937 O\n0.233937 0.766063 0.766063 O\n0.766063 0.233937 0.766063 O\n0.233937 0.766063 0.233937 O\n0.766063 0.766063 0.233937 O\n0.233937 0.233937 0.766063 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Y",
"Fe",
"O"
],
"chemical_system": "Eu-Fe-O-Sr-Y",
"density": 6.029778708529167,
"density_atomic": 0.07559819634254979,
"volume": 132.2782881576711,
"volume_molar": 7.965984707773367,
"formula_full": "Sr1 Eu1 Y1 Fe1 O6",
"formula_reduced": "SrEuYFeO6",
"formula_anonymous": "ABCDE6",
"energy": -83.66177261000001,
"energy_per_atom": -8.366177261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.28377261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.463000Z",
"spacegroup": 216
},
{
"id": "mp-1044018",
"created_at": "2022-09-04T14:44:13.873655Z",
"structure_string": "La2 Zn2 Fe2 Sb2 O12\n1.0\n5.687762 0.000000 0.000000\n0.000000 5.423629 0.000000\n0.000000 5.350116 8.094947\nLa Zn Fe Sb O\n2 2 2 2 12\ndirect\n0.296197 0.233295 0.749098 La\n0.703803 0.233295 0.249098 La\n0.787317 0.776213 0.750491 Zn\n0.212683 0.776213 0.250491 Zn\n0.751668 0.995741 0.003003 Fe\n0.248332 0.995741 0.503003 Fe\n0.760416 0.499909 0.501318 Sb\n0.239584 0.499909 0.001318 Sb\n0.280991 0.418556 0.232364 O\n0.431891 0.134631 0.065306 O\n0.456848 0.747488 0.434177 O\n0.543152 0.747488 0.934177 O\n0.568109 0.134631 0.565306 O\n0.719009 0.418556 0.732364 O\n0.801155 0.632137 0.263873 O\n0.972143 0.841964 0.431981 O\n0.971539 0.220065 0.068390 O\n0.028461 0.220065 0.568390 O\n0.027857 0.841964 0.931981 O\n0.198845 0.632137 0.763873 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Zn",
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-La-O-Sb-Zn",
"density": 6.3560184049020005,
"density_atomic": 0.08009116232256144,
"volume": 249.71544200409312,
"volume_molar": 7.519107708471326,
"formula_full": "La2 Zn2 Fe2 Sb2 O12",
"formula_reduced": "LaZnFeSbO6",
"formula_anonymous": "ABCDE6",
"energy": -142.44589826,
"energy_per_atom": -7.122294913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.68989826,
"band_gap": 1.1670999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999702,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.210000Z",
"spacegroup": 7
},
{
"id": "mp-1520122",
"created_at": "2022-09-04T14:44:09.670816Z",
"structure_string": "Ca1 Eu1 Mg1 Nb1 O6\n1.0\n-0.000000 -3.992380 -3.992380\n3.992380 -0.000000 -3.992380\n3.992380 -3.992380 0.000000\nCa Eu Mg Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Nb\n0.748704 0.251296 0.251296 O\n0.251296 0.748704 0.748704 O\n0.748704 0.251296 0.748704 O\n0.251296 0.748704 0.251296 O\n0.748704 0.748704 0.251296 O\n0.251296 0.251296 0.748704 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Mg",
"Nb",
"O"
],
"chemical_system": "Ca-Eu-Mg-Nb-O",
"density": 5.287450025310349,
"density_atomic": 0.07857319089695328,
"volume": 127.26987266069852,
"volume_molar": 7.664370876700023,
"formula_full": "Ca1 Eu1 Mg1 Nb1 O6",
"formula_reduced": "CaEuMgNbO6",
"formula_anonymous": "ABCDE6",
"energy": -84.48883605,
"energy_per_atom": -8.448883605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.36683605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999829,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.777000Z",
"spacegroup": 216
},
{
"id": "mp-1517136",
"created_at": "2022-09-04T14:44:06.259137Z",
"structure_string": "Ba1 Ca1 Ni1 Bi1 O6\n1.0\n0.000000 -4.109716 -4.109716\n4.109716 0.000000 -4.109716\n4.109716 -4.109716 -0.000000\nBa Ca Ni Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.000000 -0.000000 Bi\n0.743910 0.256090 0.256090 O\n0.256090 0.743910 0.743910 O\n0.743910 0.256090 0.743910 O\n0.256090 0.743910 0.256090 O\n0.743910 0.743910 0.256090 O\n0.256090 0.256090 0.743910 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Ni",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Ca-Ni-O",
"density": 6.47204155163475,
"density_atomic": 0.07203350891333106,
"volume": 138.82427985053113,
"volume_molar": 8.360193541655303,
"formula_full": "Ba1 Ca1 Ni1 Bi1 O6",
"formula_reduced": "BaCaNiBiO6",
"formula_anonymous": "ABCDE6",
"energy": -62.18458478,
"energy_per_atom": -6.2184584780000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.52158478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.809000Z",
"spacegroup": 216
}
]
}