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=updated_at&page=11549",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=updated_at&page=11547",
"results": [
{
"id": "mp-772328",
"created_at": "2022-09-04T14:48:07.803068Z",
"structure_string": "Mn2 Fe3 Co3 O16\n1.0\n2.876499 5.002808 0.000000\n-2.876499 5.002808 0.000000\n0.000000 0.313538 8.848572\nMn Fe Co O\n2 3 3 16\ndirect\n0.666997 0.666997 0.516649 Mn\n0.331017 0.331017 0.014993 Mn\n0.834687 0.834687 0.789584 Fe\n0.169381 0.668630 0.290345 Fe\n0.668630 0.169381 0.290345 Fe\n0.334385 0.833716 0.791462 Co\n0.833716 0.334385 0.791462 Co\n0.168910 0.168910 0.292783 Co\n0.337306 0.839130 0.399847 O\n0.521463 0.521463 0.670342 O\n0.663669 0.663669 0.898475 O\n0.005461 0.005461 0.683514 O\n0.008924 0.008924 0.184502 O\n0.839130 0.337306 0.399847 O\n0.513075 0.958676 0.659658 O\n0.958676 0.513075 0.659658 O\n0.163148 0.163148 0.890041 O\n0.830343 0.830343 0.400391 O\n0.039815 0.467327 0.157292 O\n0.467327 0.039815 0.157292 O\n0.328699 0.328699 0.401290 O\n0.169118 0.670003 0.898188 O\n0.477916 0.477916 0.148195 O\n0.670003 0.169118 0.898188 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Mn-O",
"density": 4.630726964912488,
"density_atomic": 0.09423885351387631,
"volume": 254.67202862846895,
"volume_molar": 6.390295016814124,
"formula_full": "Mn2 Fe3 Co3 O16",
"formula_reduced": "Mn2Fe3Co3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -174.73915130999998,
"energy_per_atom": -7.280797971249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.72915131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.030329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.930000Z",
"spacegroup": 8
},
{
"id": "mp-1209175",
"created_at": "2022-09-04T14:47:58.390111Z",
"structure_string": "Sc8 Fe2\n1.0\n-4.876214 -4.876214 0.000000\n-4.876214 0.000000 -4.876214\n0.000000 -4.876214 -4.876214\nSc Fe\n8 2\ndirect\n0.613452 0.613452 0.613452 Sc\n0.159645 0.613452 0.613452 Sc\n0.613452 0.159645 0.613452 Sc\n0.590355 0.136548 0.136548 Sc\n0.136548 0.136548 0.136548 Sc\n0.613452 0.613452 0.159645 Sc\n0.136548 0.590355 0.136548 Sc\n0.136548 0.136548 0.590355 Sc\n0.000000 0.000000 0.000000 Fe\n0.750000 0.750000 0.750000 Fe\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sc",
"Fe"
],
"chemical_system": "Fe-Sc",
"density": 3.3752242813460134,
"density_atomic": 0.04312426769185648,
"volume": 231.8879956746114,
"volume_molar": 13.964621505067809,
"formula_full": "Sc8 Fe2",
"formula_reduced": "Sc4Fe",
"formula_anonymous": "AB4",
"energy": -63.5475742,
"energy_per_atom": -6.35475742,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.5475742,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.931000Z",
"spacegroup": 227
},
{
"id": "mp-8435",
"created_at": "2022-09-04T14:48:10.563133Z",
"structure_string": "Ta2 Pd1 S6\n1.0\n1.645510 6.798693 0.000000\n-1.645510 6.798693 0.000000\n0.000000 5.544350 9.100542\nTa Pd S\n2 1 6\ndirect\n0.319375 0.319375 0.294531 Ta\n0.680625 0.680625 0.705469 Ta\n0.000000 0.000000 0.000000 Pd\n0.671965 0.671965 0.465092 S\n0.023788 0.023788 0.763930 S\n0.976212 0.976212 0.236070 S\n0.328035 0.328035 0.534908 S\n0.796761 0.796761 0.135210 S\n0.203239 0.203239 0.864790 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Pd",
"S"
],
"chemical_system": "Pd-S-Ta",
"density": 5.388079311439807,
"density_atomic": 0.04419969767733353,
"volume": 203.6213022473992,
"volume_molar": 13.624846042981583,
"formula_full": "Ta2 Pd1 S6",
"formula_reduced": "Ta2PdS6",
"formula_anonymous": "AB2C6",
"energy": -64.28905893,
"energy_per_atom": -7.1432287699999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.27105893,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.59e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.936000Z",
"spacegroup": 12
},
{
"id": "mp-1191301",
"created_at": "2022-09-04T14:47:59.666753Z",
"structure_string": "Rb4 Ga8 Au12\n1.0\n5.693497 0.000000 0.000000\n0.000000 7.194784 0.000000\n0.000000 0.000000 13.635534\nRb Ga Au\n4 8 12\ndirect\n0.250000 0.100230 0.073408 Rb\n0.250000 0.399770 0.573408 Rb\n0.750000 0.899770 0.926592 Rb\n0.750000 0.600230 0.426592 Rb\n0.998028 0.895198 0.654751 Ga\n0.501972 0.604802 0.154751 Ga\n0.498028 0.104802 0.345249 Ga\n0.001972 0.395198 0.845249 Ga\n0.001972 0.104802 0.345249 Ga\n0.498028 0.395198 0.845249 Ga\n0.501972 0.895198 0.654751 Ga\n0.998028 0.604802 0.154751 Ga\n0.250000 0.109626 0.784851 Au\n0.250000 0.390374 0.284851 Au\n0.750000 0.890374 0.215149 Au\n0.750000 0.609626 0.715149 Au\n0.250000 0.699209 0.789373 Au\n0.250000 0.800791 0.289373 Au\n0.750000 0.300791 0.210627 Au\n0.750000 0.199209 0.710627 Au\n0.250000 0.579154 0.993297 Au\n0.250000 0.920846 0.493297 Au\n0.750000 0.420846 0.006703 Au\n0.750000 0.079154 0.506703 Au\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Ga",
"Au"
],
"chemical_system": "Au-Ga-Rb",
"density": 9.70132319778249,
"density_atomic": 0.04296771262613266,
"volume": 558.5589395653184,
"volume_molar": 14.015502320077836,
"formula_full": "Rb4 Ga8 Au12",
"formula_reduced": "RbGa2Au3",
"formula_anonymous": "AB2C3",
"energy": -75.45551043,
"energy_per_atom": -3.1439796012500003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.45551043,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0136305,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.943000Z",
"spacegroup": 62
},
{
"id": "mp-860970",
"created_at": "2022-09-04T14:48:09.621799Z",
"structure_string": "Li6 Mn6 P6 O24\n1.0\n3.887753 -6.733787 0.000000\n3.887753 6.733787 0.000000\n0.000000 0.000000 9.874303\nLi Mn P O\n6 6 6 24\ndirect\n0.034149 0.591626 0.490634 Li\n0.557476 0.965851 0.490634 Li\n0.408374 0.442524 0.490634 Li\n0.442524 0.408374 0.990634 Li\n0.591626 0.034149 0.990634 Li\n0.965851 0.557476 0.990634 Li\n0.232412 0.947167 0.267784 Mn\n0.052833 0.285245 0.267784 Mn\n0.285245 0.052833 0.767784 Mn\n0.714755 0.767588 0.267784 Mn\n0.767588 0.714755 0.767784 Mn\n0.947167 0.232412 0.767784 Mn\n0.333333 0.666667 0.176387 P\n0.000000 0.000000 0.002415 P\n0.000000 0.000000 0.502415 P\n0.333333 0.666667 0.774215 P\n0.666667 0.333333 0.676387 P\n0.666667 0.333333 0.274215 P\n0.079106 0.864665 0.450889 O\n0.186072 0.732952 0.124914 O\n0.391648 0.876403 0.831822 O\n0.123597 0.515245 0.831822 O\n0.267048 0.453120 0.124914 O\n0.333333 0.666667 0.334016 O\n0.000000 0.000000 0.164119 O\n0.000000 0.000000 0.664119 O\n0.333333 0.666667 0.617755 O\n0.135335 0.214442 0.450889 O\n0.214442 0.135335 0.950889 O\n0.546880 0.813928 0.124914 O\n0.484755 0.608352 0.831822 O\n0.785558 0.920894 0.450889 O\n0.453120 0.267048 0.624914 O\n0.515245 0.123597 0.331822 O\n0.608352 0.484755 0.331822 O\n0.813928 0.546880 0.624914 O\n0.666667 0.333333 0.834016 O\n0.666667 0.333333 0.117755 O\n0.920894 0.785558 0.950889 O\n0.732952 0.186072 0.624914 O\n0.876403 0.391648 0.331822 O\n0.864665 0.079106 0.950889 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.022675405902971,
"density_atomic": 0.08123717358731411,
"volume": 517.004693114516,
"volume_molar": 7.413035798848139,
"formula_full": "Li6 Mn6 P6 O24",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -324.1612664,
"energy_per_atom": -7.718125390476191,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -297.6652664,
"band_gap": 3.1615,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 30.001782,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.943000Z",
"spacegroup": 159
},
{
"id": "mp-1207",
"created_at": "2022-09-04T14:48:07.801228Z",
"structure_string": "Nd2 Fe4\n1.0\n0.000000 3.722171 3.722171\n3.722171 0.000000 3.722171\n3.722171 3.722171 0.000000\nNd Fe\n2 4\ndirect\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Nd\n0.625000 0.125000 0.625000 Fe\n0.625000 0.625000 0.125000 Fe\n0.125000 0.625000 0.625000 Fe\n0.625000 0.625000 0.625000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Fe"
],
"chemical_system": "Fe-Nd",
"density": 8.241091280815782,
"density_atomic": 0.05817445070514674,
"volume": 103.13806021840401,
"volume_molar": 10.351865272476422,
"formula_full": "Nd2 Fe4",
"formula_reduced": "NdFe2",
"formula_anonymous": "AB2",
"energy": -42.93085242,
"energy_per_atom": -7.15514207,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.93085242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.745828,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.943000Z",
"spacegroup": 227
},
{
"id": "mp-568758",
"created_at": "2022-09-04T14:48:04.282454Z",
"structure_string": "Bi8 Br8\n1.0\n2.134062 7.317148 0.000000\n-2.134062 7.317148 0.000000\n0.000000 7.012627 20.317590\nBi Br\n8 8\ndirect\n0.826183 0.826183 0.994456 Bi\n0.173817 0.173817 0.005544 Bi\n0.821168 0.821168 0.505075 Bi\n0.794244 0.794244 0.143817 Bi\n0.205756 0.205756 0.856183 Bi\n0.178832 0.178832 0.494925 Bi\n0.929282 0.929282 0.355123 Bi\n0.070718 0.070718 0.644877 Bi\n0.852306 0.852306 0.817935 Br\n0.549717 0.549717 0.381767 Br\n0.559136 0.559136 0.886959 Br\n0.440864 0.440864 0.113041 Br\n0.450283 0.450283 0.618233 Br\n0.317908 0.317908 0.318281 Br\n0.682092 0.682092 0.681719 Br\n0.147694 0.147694 0.182065 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Bi",
"Br"
],
"chemical_system": "Bi-Br",
"density": 6.0480046275850805,
"density_atomic": 0.025215577716924398,
"volume": 634.528392711026,
"volume_molar": 23.882620607014726,
"formula_full": "Bi8 Br8",
"formula_reduced": "BiBr",
"formula_anonymous": "AB",
"energy": -56.10324398,
"energy_per_atom": -3.50645274875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.83124398,
"band_gap": 0.7863999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005086,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.944000Z",
"spacegroup": 12
},
{
"id": "mp-665747",
"created_at": "2022-09-04T14:48:08.125116Z",
"structure_string": "Eu4 Ag4\n1.0\n4.776749 0.000000 0.000000\n0.000000 6.239645 0.000000\n0.000000 0.000000 7.997671\nEu Ag\n4 4\ndirect\n0.750000 0.867219 0.821415 Eu\n0.250000 0.367219 0.678585 Eu\n0.750000 0.632781 0.321415 Eu\n0.250000 0.132781 0.178585 Eu\n0.250000 0.625625 0.041562 Ag\n0.750000 0.125625 0.458438 Ag\n0.750000 0.374375 0.958438 Ag\n0.250000 0.874375 0.541562 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Eu",
"Ag"
],
"chemical_system": "Ag-Eu",
"density": 7.240127625801902,
"density_atomic": 0.03356094256063048,
"volume": 238.37232776008514,
"volume_molar": 17.9438963882511,
"formula_full": "Eu4 Ag4",
"formula_reduced": "EuAg",
"formula_anonymous": "AB",
"energy": -54.93518381,
"energy_per_atom": -6.86689797625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.93518381,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.7803217,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.947000Z",
"spacegroup": 62
},
{
"id": "mp-1408935",
"created_at": "2022-09-04T14:48:11.909279Z",
"structure_string": "V4 Zn1 O8\n1.0\n1.509730 7.216918 0.000000\n-1.509730 7.216918 0.000000\n0.000000 6.195801 7.274589\nV Zn O\n4 1 8\ndirect\n0.373505 0.373505 0.433321 V\n0.858177 0.858177 0.798318 V\n0.160030 0.160030 0.164760 V\n0.648593 0.648593 0.507149 V\n0.667999 0.667999 0.798032 Zn\n0.144784 0.144784 0.379254 O\n0.536251 0.536251 0.253531 O\n0.464728 0.464728 0.713190 O\n0.863003 0.863003 0.586210 O\n0.830603 0.830603 0.357201 O\n0.214593 0.214593 0.900360 O\n0.166849 0.166849 0.653436 O\n0.785424 0.785424 0.038806 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"V",
"Zn",
"O"
],
"chemical_system": "O-V-Zn",
"density": 4.160411038468872,
"density_atomic": 0.08200755034569146,
"volume": 158.5219890753998,
"volume_molar": 7.343397936671074,
"formula_full": "V4 Zn1 O8",
"formula_reduced": "V4ZnO8",
"formula_anonymous": "AB4C8",
"energy": -107.30298978,
"energy_per_atom": -8.254076136923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.00698978,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.948000Z",
"spacegroup": 8
},
{
"id": "mp-546226",
"created_at": "2022-09-04T14:48:09.459278Z",
"structure_string": "Ca2 Cu1 O3\n1.0\n-1.656249 1.694526 9.045934\n1.656249 -1.694526 9.045934\n1.656249 1.694526 -9.045934\nCa Cu O\n2 1 3\ndirect\n0.682194 0.182194 0.500000 Ca\n0.317806 0.817806 0.500000 Ca\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 O\n0.811021 0.311021 0.500000 O\n0.188979 0.688979 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 3.1346163278175423,
"density_atomic": 0.05908319582734416,
"volume": 101.55171730272508,
"volume_molar": 10.192645600278965,
"formula_full": "Ca2 Cu1 O3",
"formula_reduced": "Ca2CuO3",
"formula_anonymous": "AB2C3",
"energy": -36.29626971,
"energy_per_atom": -6.0493782849999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.23526971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9550522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.954000Z",
"spacegroup": 71
},
{
"id": "mp-1221415",
"created_at": "2022-09-04T14:48:00.793473Z",
"structure_string": "Na1 Ti6 Se8\n1.0\n4.923323 -8.527445 0.000000\n4.923323 8.527445 0.000000\n0.000000 0.000000 3.595498\nNa Ti Se\n1 6 8\ndirect\n0.000000 0.000000 0.500000 Na\n0.128326 0.492012 0.749781 Ti\n0.507988 0.636314 0.749781 Ti\n0.363686 0.871674 0.749781 Ti\n0.871674 0.507988 0.250219 Ti\n0.492012 0.363686 0.250219 Ti\n0.636314 0.128326 0.250219 Ti\n0.666667 0.333333 0.750035 Se\n0.333333 0.666667 0.249965 Se\n0.295618 0.346136 0.750667 Se\n0.653864 0.949482 0.750667 Se\n0.050518 0.704382 0.750667 Se\n0.704382 0.653864 0.249333 Se\n0.346136 0.050518 0.249333 Se\n0.949482 0.295618 0.249333 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Na",
"Ti",
"Se"
],
"chemical_system": "Na-Se-Ti",
"density": 5.180534547197219,
"density_atomic": 0.049684961292386906,
"volume": 301.90221768973,
"volume_molar": 12.120651004558106,
"formula_full": "Na1 Ti6 Se8",
"formula_reduced": "Na(Ti3Se4)2",
"formula_anonymous": "AB6C8",
"energy": -98.07502599,
"energy_per_atom": -6.538335066,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.29902599,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7966993,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.957000Z",
"spacegroup": 147
},
{
"id": "mp-675325",
"created_at": "2022-09-04T14:48:00.239171Z",
"structure_string": "Al1 Ag9 S6\n1.0\n7.676346 0.000000 0.000000\n3.746450 6.831920 0.000000\n3.660204 2.069500 6.726058\nAl Ag S\n1 9 6\ndirect\n0.522954 0.471791 0.501637 Al\n0.456558 0.022728 0.486932 Ag\n0.011869 0.461187 0.041306 Ag\n0.025513 0.059157 0.410513 Ag\n0.053126 0.409402 0.497648 Ag\n0.829002 0.775734 0.252827 Ag\n0.253667 0.778789 0.149819 Ag\n0.287864 0.149702 0.840867 Ag\n0.108799 0.833853 0.784872 Ag\n0.694776 0.412106 0.949172 Ag\n0.277723 0.242218 0.224763 S\n0.612216 0.618480 0.165989 S\n0.643961 0.129467 0.601994 S\n0.640747 0.611331 0.608574 S\n0.164517 0.592391 0.628294 S\n0.973208 0.043566 0.997092 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"Ag",
"S"
],
"chemical_system": "Ag-Al-S",
"density": 5.602808406708189,
"density_atomic": 0.04535885266791429,
"volume": 352.7426083093587,
"volume_molar": 13.276660245553147,
"formula_full": "Al1 Ag9 S6",
"formula_reduced": "Al(Ag3S2)3",
"formula_anonymous": "AB6C9",
"energy": -59.95063469,
"energy_per_atom": -3.746914668125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.93263469,
"band_gap": 0.7057,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.959000Z",
"spacegroup": 1
}
]
}