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=-chemical_system&page=167",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=165",
"results": [
{
"id": "mp-1025140",
"created_at": "2022-09-04T14:43:56.323487Z",
"structure_string": "U2 Si2 Se2\n1.0\n-1.942095 1.942095 8.296335\n1.942095 -1.942095 8.296335\n1.942095 1.942095 -8.296335\nU Si Se\n2 2 2\ndirect\n0.867916 0.867916 0.000000 U\n0.132084 0.132084 0.000000 U\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.684081 0.684081 0.000000 Se\n0.315919 0.315919 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Si",
"Se"
],
"chemical_system": "Se-Si-U",
"density": 9.155975784313336,
"density_atomic": 0.04793624799996704,
"volume": 125.16624163001087,
"volume_molar": 12.562812091601623,
"formula_full": "U2 Si2 Se2",
"formula_reduced": "USiSe",
"formula_anonymous": "ABC",
"energy": -45.81760084,
"energy_per_atom": -7.636266806666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.01560084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.898446,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.546000Z",
"spacegroup": 139
},
{
"id": "mp-14241",
"created_at": "2022-09-04T14:46:22.082988Z",
"structure_string": "Tl4 Si2 Se6\n1.0\n7.083117 0.000000 0.000000\n-2.793013 -6.608214 0.000000\n-3.348363 1.323252 -8.160156\nTl Si Se\n4 2 6\ndirect\n0.727795 0.320596 0.099330 Tl\n0.272205 0.679404 0.900670 Tl\n0.864800 0.041925 0.665935 Tl\n0.135200 0.958075 0.334065 Tl\n0.432079 0.548201 0.322341 Si\n0.567921 0.451799 0.677659 Si\n0.752190 0.696543 0.901229 Se\n0.247810 0.303457 0.098771 Se\n0.514005 0.873497 0.270445 Se\n0.485995 0.126503 0.729555 Se\n0.238524 0.470686 0.494131 Se\n0.761476 0.529314 0.505869 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Si",
"Se"
],
"chemical_system": "Se-Si-Tl",
"density": 5.858134751322798,
"density_atomic": 0.03141769146137314,
"volume": 381.9504057054461,
"volume_molar": 19.1679925541442,
"formula_full": "Tl4 Si2 Se6",
"formula_reduced": "Tl2SiSe3",
"formula_anonymous": "AB2C3",
"energy": -49.89859642,
"energy_per_atom": -4.158216368333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.06659642,
"band_gap": 1.6828,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024818,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:29.914000Z",
"spacegroup": 2
},
{
"id": "mp-28334",
"created_at": "2022-09-04T14:39:38.959102Z",
"structure_string": "Tl16 Si4 Se16\n1.0\n3.746369 6.089884 0.000000\n-3.746369 6.089884 0.000000\n0.000000 4.287538 24.918345\nTl Si Se\n16 4 16\ndirect\n0.175116 0.824884 0.250000 Tl\n0.824884 0.175116 0.750000 Tl\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.052394 0.337995 0.336421 Tl\n0.662005 0.947606 0.163579 Tl\n0.947606 0.662005 0.663579 Tl\n0.337995 0.052394 0.836421 Tl\n0.905833 0.324919 0.174964 Tl\n0.675081 0.094167 0.325036 Tl\n0.094167 0.675081 0.825036 Tl\n0.324919 0.905833 0.674964 Tl\n0.278804 0.350641 0.499898 Tl\n0.649359 0.721196 0.000102 Tl\n0.721196 0.649359 0.500102 Tl\n0.350641 0.278804 0.999898 Tl\n0.440437 0.686487 0.376479 Si\n0.686487 0.440437 0.876479 Si\n0.559563 0.313513 0.623521 Si\n0.313513 0.559563 0.123521 Si\n0.601205 0.694503 0.291336 Se\n0.704762 0.108867 0.881695 Se\n0.108867 0.704762 0.381695 Se\n0.295238 0.891133 0.118305 Se\n0.340284 0.625189 0.577690 Se\n0.891133 0.295238 0.618305 Se\n0.659716 0.374811 0.422310 Se\n0.625189 0.340284 0.077690 Se\n0.967780 0.412437 0.917300 Se\n0.587563 0.032220 0.582700 Se\n0.032220 0.587563 0.082700 Se\n0.412437 0.967780 0.417300 Se\n0.305497 0.398795 0.208664 Se\n0.398795 0.305497 0.708664 Se\n0.694503 0.601205 0.791336 Se\n0.374811 0.659716 0.922310 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tl",
"Si",
"Se"
],
"chemical_system": "Se-Si-Tl",
"density": 6.78491011693651,
"density_atomic": 0.03166166425378188,
"volume": 1137.0217216455994,
"volume_molar": 19.020291263687053,
"formula_full": "Tl16 Si4 Se16",
"formula_reduced": "Tl4SiSe4",
"formula_anonymous": "AB4C4",
"energy": -139.67649864999998,
"energy_per_atom": -3.8799027402777773,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.12449865,
"band_gap": 1.5277000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.81e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.298000Z",
"spacegroup": 15
},
{
"id": "mp-1076936",
"created_at": "2022-09-04T14:45:15.201216Z",
"structure_string": "Th2 Si2 Se2\n1.0\n-2.003102 2.003102 8.856156\n2.003102 -2.003102 8.856156\n2.003102 2.003102 -8.856156\nTh Si Se\n2 2 2\ndirect\n0.870897 0.870897 0.000000 Th\n0.129103 0.129103 0.000000 Th\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.687845 0.687845 0.000000 Se\n0.312155 0.312155 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Si",
"Se"
],
"chemical_system": "Se-Si-Th",
"density": 7.92272257527936,
"density_atomic": 0.04221238319597403,
"volume": 142.1383856046357,
"volume_molar": 14.266289425171232,
"formula_full": "Th2 Si2 Se2",
"formula_reduced": "ThSiSe",
"formula_anonymous": "ABC",
"energy": -40.68061705,
"energy_per_atom": -6.780102841666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.87861705,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.813000Z",
"spacegroup": 139
},
{
"id": "mp-1208587",
"created_at": "2022-09-04T14:45:20.366766Z",
"structure_string": "Ta22 Si4 Se16\n1.0\n3.493570 0.000000 0.000000\n0.000000 11.982734 0.000000\n0.000000 0.000000 19.533900\nTa Si Se\n22 4 16\ndirect\n0.000000 0.562328 0.113415 Ta\n0.000000 0.437672 0.886585 Ta\n0.500000 0.937672 0.613415 Ta\n0.500000 0.062328 0.386585 Ta\n0.000000 0.320167 0.046638 Ta\n0.000000 0.679833 0.953362 Ta\n0.500000 0.179833 0.546638 Ta\n0.500000 0.820167 0.453362 Ta\n0.000000 0.045964 0.257982 Ta\n0.000000 0.954036 0.742018 Ta\n0.500000 0.454036 0.757982 Ta\n0.500000 0.545964 0.242018 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.337336 0.213284 Ta\n0.000000 0.662664 0.786716 Ta\n0.500000 0.162664 0.713284 Ta\n0.500000 0.837336 0.286716 Ta\n0.000000 0.323239 0.644030 Ta\n0.000000 0.676761 0.355970 Ta\n0.500000 0.176761 0.144030 Ta\n0.500000 0.823239 0.855970 Ta\n0.000000 0.094147 0.627842 Si\n0.000000 0.905853 0.372158 Si\n0.500000 0.405853 0.127842 Si\n0.500000 0.594147 0.872158 Si\n0.000000 0.713165 0.213878 Se\n0.000000 0.286835 0.786122 Se\n0.500000 0.786835 0.713878 Se\n0.500000 0.213165 0.286122 Se\n0.000000 0.107405 0.053587 Se\n0.000000 0.892595 0.946413 Se\n0.500000 0.392595 0.553587 Se\n0.500000 0.607405 0.446413 Se\n0.000000 0.211789 0.441999 Se\n0.000000 0.788211 0.558001 Se\n0.500000 0.288211 0.941999 Se\n0.500000 0.711789 0.058001 Se\n0.000000 0.457654 0.327419 Se\n0.000000 0.542346 0.672581 Se\n0.500000 0.042346 0.827419 Se\n0.500000 0.957654 0.172581 Se\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Se"
],
"chemical_system": "Se-Si-Ta",
"density": 10.877281469050436,
"density_atomic": 0.05136117635208622,
"volume": 817.7382798261009,
"volume_molar": 11.725083395126306,
"formula_full": "Ta22 Si4 Se16",
"formula_reduced": "Ta11(SiSe4)2",
"formula_anonymous": "A2B8C11",
"energy": -374.4790988,
"energy_per_atom": -8.916169019047619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -367.2110988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0114866,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.130000Z",
"spacegroup": 58
},
{
"id": "mp-1250007",
"created_at": "2022-09-04T14:46:19.125556Z",
"structure_string": "Si8 Se16\n1.0\n6.849796 0.000000 -1.438401\n0.000000 17.532943 0.000000\n-0.250978 0.000000 6.350144\nSi Se\n8 16\ndirect\n0.117497 0.064679 0.119739 Si\n0.882503 0.564679 0.380261 Si\n0.882503 0.935321 0.880261 Si\n0.117497 0.435321 0.619739 Si\n0.350343 0.194773 0.346923 Si\n0.649657 0.694773 0.153077 Si\n0.649657 0.805227 0.653077 Si\n0.350343 0.305227 0.846923 Si\n0.014286 0.180729 0.224837 Se\n0.985714 0.680729 0.275163 Se\n0.985714 0.819271 0.775163 Se\n0.014286 0.319271 0.724837 Se\n0.476759 0.302072 0.220068 Se\n0.523241 0.802072 0.279932 Se\n0.523241 0.697928 0.779932 Se\n0.476759 0.197928 0.720068 Se\n0.453777 0.078521 0.247354 Se\n0.546223 0.578521 0.252646 Se\n0.546223 0.921479 0.752646 Se\n0.453777 0.421479 0.747354 Se\n0.003038 0.456443 0.252393 Se\n0.996962 0.956443 0.247607 Se\n0.996962 0.543557 0.747607 Se\n0.003038 0.043557 0.752393 Se\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"Se"
],
"chemical_system": "Se-Si",
"density": 3.267144379407381,
"density_atomic": 0.03173326059095041,
"volume": 756.3042546861459,
"volume_molar": 18.977377829611918,
"formula_full": "Si8 Se16",
"formula_reduced": "SiSe2",
"formula_anonymous": "AB2",
"energy": -117.59197336,
"energy_per_atom": -4.899665556666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.03997336,
"band_gap": 2.4771,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010711,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.634000Z",
"spacegroup": 14
},
{
"id": "mp-568264",
"created_at": "2022-09-04T14:44:22.259973Z",
"structure_string": "Si2 Se4\n1.0\n-2.965983 3.298968 5.464126\n2.965983 -3.298968 5.464126\n2.965983 3.298968 -5.464126\nSi Se\n2 4\ndirect\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.303961 0.111806 0.192155 Se\n0.696039 0.888194 0.807845 Se\n0.080349 0.388194 0.692155 Se\n0.919651 0.611806 0.307845 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"Se"
],
"chemical_system": "Se-Si",
"density": 2.8885335892352537,
"density_atomic": 0.02805587340757254,
"volume": 213.85896324940447,
"volume_molar": 21.464812991259677,
"formula_full": "Si2 Se4",
"formula_reduced": "SiSe2",
"formula_anonymous": "AB2",
"energy": -29.42813313,
"energy_per_atom": -4.904688855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.54013313,
"band_gap": 2.167,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.028000Z",
"spacegroup": 72
},
{
"id": "mp-22142",
"created_at": "2022-09-04T14:40:20.550794Z",
"structure_string": "Si2 Se4\n1.0\n-4.512868 4.512868 2.961580\n4.512868 -4.512868 2.961580\n4.512868 4.512868 -2.961580\nSi Se\n2 4\ndirect\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n0.137893 0.362107 0.500000 Se\n0.637893 0.137893 0.775787 Se\n0.862107 0.637893 0.500000 Se\n0.362107 0.862107 0.224213 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"Se"
],
"chemical_system": "Se-Si",
"density": 2.560449165329134,
"density_atomic": 0.02486924088980998,
"volume": 241.26188758976005,
"volume_molar": 24.215217451480537,
"formula_full": "Si2 Se4",
"formula_reduced": "SiSe2",
"formula_anonymous": "AB2",
"energy": -29.40534871,
"energy_per_atom": -4.900891451666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.51734871,
"band_gap": 2.2091000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.048000Z",
"spacegroup": 140
},
{
"id": "mp-1179443",
"created_at": "2022-09-04T14:42:54.679092Z",
"structure_string": "Si2 Se4\n1.0\n-2.965946 3.631551 4.695672\n2.965946 -3.631551 4.695672\n2.965946 3.631551 -4.695672\nSi Se\n2 4\ndirect\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.954800 0.630077 0.324723 Se\n0.305354 0.130077 0.175277 Se\n0.045200 0.369923 0.675277 Se\n0.694646 0.869923 0.824723 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"Se"
],
"chemical_system": "Se-Si",
"density": 3.053456570764396,
"density_atomic": 0.02965774444311278,
"volume": 202.30803497240802,
"volume_molar": 20.305457724714064,
"formula_full": "Si2 Se4",
"formula_reduced": "SiSe2",
"formula_anonymous": "AB2",
"energy": -29.39407023,
"energy_per_atom": -4.899011705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.50607023,
"band_gap": 1.8981,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.25e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.561000Z",
"spacegroup": 72
},
{
"id": "mp-978501",
"created_at": "2022-09-04T14:46:41.344141Z",
"structure_string": "Si3 Se1\n1.0\n0.000000 3.205878 3.205878\n3.205878 0.000000 3.205878\n3.205878 3.205878 0.000000\nSi Se\n3 1\ndirect\n0.250000 0.250000 0.250000 Si\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Se"
],
"chemical_system": "Se-Si",
"density": 4.112843543133739,
"density_atomic": 0.060700046255538716,
"volume": 65.89780810315298,
"volume_molar": 9.921146904316396,
"formula_full": "Si3 Se1",
"formula_reduced": "Si3Se",
"formula_anonymous": "AB3",
"energy": -17.56726166,
"energy_per_atom": -4.391815415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.30826166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024196,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.473000Z",
"spacegroup": 225
},
{
"id": "mp-568313",
"created_at": "2022-09-04T14:46:30.294613Z",
"structure_string": "Si2 Se4\n1.0\n-3.127984 3.521113 5.446997\n3.127984 -3.521113 5.446997\n3.127984 3.521113 -5.446997\nSi Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.863240 0.096428 0.233188 Se\n0.636760 0.369948 0.733188 Se\n0.136760 0.903572 0.766812 Se\n0.363240 0.630052 0.266812 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"Se"
],
"chemical_system": "Se-Si",
"density": 2.574205809744256,
"density_atomic": 0.02500285701795957,
"volume": 239.97257576164978,
"volume_molar": 24.085810496273655,
"formula_full": "Si2 Se4",
"formula_reduced": "SiSe2",
"formula_anonymous": "AB2",
"energy": -25.23241092,
"energy_per_atom": -4.20540182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.34441092,
"band_gap": 1.8488,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.896000Z",
"spacegroup": 72
},
{
"id": "mp-7755",
"created_at": "2022-09-04T14:48:18.313900Z",
"structure_string": "Se1\n1.0\n2.829635 0.000000 0.000000\n0.000000 2.829635 0.000000\n0.000000 0.000000 2.829635\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 5.787153223762264,
"density_atomic": 0.044137602995476075,
"volume": 22.656418385531627,
"volume_molar": 13.64401406351234,
"formula_full": "Se1",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -3.31467609,
"energy_per_atom": -3.31467609,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.31467609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:56.168000Z",
"spacegroup": 221
}
]
}