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=97",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=95",
"results": [
{
"id": "mp-1028743",
"created_at": "2022-09-04T14:43:20.819399Z",
"structure_string": "Te2 W4 Se4 S2\n1.0\n1.671498 -2.895119 0.000000\n1.671498 2.895119 0.000000\n0.000000 0.000000 38.191649\nTe W Se S\n2 4 4 2\ndirect\n0.333333 0.666667 0.419672 Te\n0.333333 0.666667 0.519585 Te\n0.000000 0.000000 0.093907 W\n0.000000 0.000000 0.469624 W\n0.333333 0.666667 0.281766 W\n0.333333 0.666667 0.657617 W\n0.000000 0.000000 0.701510 Se\n0.333333 0.666667 0.049989 Se\n0.333333 0.666667 0.137828 Se\n0.000000 0.000000 0.613683 Se\n0.000000 0.000000 0.321627 S\n0.000000 0.000000 0.241941 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.156968860275429,
"density_atomic": 0.032464637602383446,
"volume": 369.6329571570206,
"volume_molar": 18.54984747945523,
"formula_full": "Te2 W4 Se4 S2",
"formula_reduced": "TeW2Se2S",
"formula_anonymous": "ABC2D2",
"energy": -88.79671978,
"energy_per_atom": -7.399726648333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.90271978,
"band_gap": 1.8791,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012073,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.265000Z",
"spacegroup": 156
},
{
"id": "mp-1028732",
"created_at": "2022-09-04T14:43:42.417568Z",
"structure_string": "Te4 W4 Se2 S2\n1.0\n1.698455 -2.941810 0.000000\n1.698455 2.941810 0.000000\n0.000000 0.000000 38.873139\nTe W Se S\n4 4 2 2\ndirect\n0.000000 0.000000 0.706011 Te\n0.333333 0.666667 0.421159 Te\n0.333333 0.666667 0.518032 Te\n0.000000 0.000000 0.609146 Te\n0.000000 0.000000 0.093929 W\n0.000000 0.000000 0.469610 W\n0.333333 0.666667 0.281806 W\n0.333333 0.666667 0.657614 W\n0.333333 0.666667 0.051355 Se\n0.333333 0.666667 0.136496 Se\n0.000000 0.000000 0.320597 S\n0.000000 0.000000 0.242992 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.2743778366421505,
"density_atomic": 0.030891071618322045,
"volume": 388.46175840926753,
"volume_molar": 19.494761575147688,
"formula_full": "Te4 W4 Se2 S2",
"formula_reduced": "Te2W2SeS",
"formula_anonymous": "ABC2D2",
"energy": -87.18620019000001,
"energy_per_atom": -7.2655166825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.54820019,
"band_gap": 1.8751999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.79e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.606000Z",
"spacegroup": 156
},
{
"id": "mp-1025578",
"created_at": "2022-09-04T14:45:08.443447Z",
"structure_string": "Te2 W3 Se2 S2\n1.0\n1.674049 -2.899538 0.000000\n1.674049 2.899538 0.000000\n0.000000 0.000000 31.022729\nTe W Se S\n2 3 2 2\ndirect\n0.333333 0.666667 0.516974 Te\n0.333333 0.666667 0.639710 Te\n0.000000 0.000000 0.115659 W\n0.000000 0.000000 0.578371 W\n0.333333 0.666667 0.346949 W\n0.000000 0.000000 0.400796 Se\n0.000000 0.000000 0.293071 Se\n0.333333 0.666667 0.066623 S\n0.333333 0.666667 0.164689 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 5.672316083668419,
"density_atomic": 0.029883780935078933,
"volume": 301.16671044912505,
"volume_molar": 20.151870250564375,
"formula_full": "Te2 W3 Se2 S2",
"formula_reduced": "Te2W3(SeS)2",
"formula_anonymous": "A2B2C2D3",
"energy": -67.07849159,
"energy_per_atom": -7.453165732222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.28449159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.65e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.913000Z",
"spacegroup": 156
},
{
"id": "mp-1028704",
"created_at": "2022-09-04T14:44:05.513109Z",
"structure_string": "Te2 W4 Se4 S2\n1.0\n1.671661 -2.895402 0.000000\n1.671661 2.895402 0.000000\n0.000000 0.000000 38.136459\nTe W Se S\n2 4 4 2\ndirect\n0.333333 0.666667 0.707598 Te\n0.333333 0.666667 0.607548 Te\n0.333333 0.666667 0.093905 W\n0.333333 0.666667 0.469631 W\n0.666667 0.333333 0.281805 W\n0.666667 0.333333 0.657593 W\n0.666667 0.333333 0.049967 Se\n0.666667 0.333333 0.425680 Se\n0.666667 0.333333 0.137856 Se\n0.666667 0.333333 0.513575 Se\n0.333333 0.666667 0.321716 S\n0.333333 0.666667 0.241873 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.16467522782507,
"density_atomic": 0.03250527195272815,
"volume": 369.17088457070565,
"volume_molar": 18.526658594820848,
"formula_full": "Te2 W4 Se4 S2",
"formula_reduced": "TeW2Se2S",
"formula_anonymous": "ABC2D2",
"energy": -88.79577303,
"energy_per_atom": -7.399647752500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.90177303,
"band_gap": 2.3019,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005501,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.642000Z",
"spacegroup": 156
},
{
"id": "mp-1028590",
"created_at": "2022-09-04T14:48:09.913057Z",
"structure_string": "Te4 W4 Se2 S2\n1.0\n3.397153 0.000001 0.000000\n-1.698575 2.942047 -0.000004\n0.000005 -0.000052 38.822480\nTe W Se S\n4 4 2 2\ndirect\n0.333360 0.666720 0.706031 Te\n0.666643 0.333284 0.045441 Te\n0.666645 0.333290 0.142423 Te\n0.333367 0.666734 0.609050 Te\n0.333309 0.666617 0.093902 W\n0.333306 0.666611 0.469648 W\n0.666688 0.333376 0.281788 W\n0.666691 0.333383 0.657575 W\n0.666636 0.333270 0.427040 Se\n0.666645 0.333290 0.512247 Se\n0.333355 0.666710 0.320619 S\n0.333356 0.666714 0.242985 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.281608673297844,
"density_atomic": 0.030926671688768382,
"volume": 388.01459532284656,
"volume_molar": 19.47232091640516,
"formula_full": "Te4 W4 Se2 S2",
"formula_reduced": "Te2W2SeS",
"formula_anonymous": "ABC2D2",
"energy": -87.19342356,
"energy_per_atom": -7.26611863,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.55542356,
"band_gap": 2.298,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.338000Z",
"spacegroup": 156
},
{
"id": "mp-1028771",
"created_at": "2022-09-04T14:45:34.445030Z",
"structure_string": "Te4 W4 Se2 S2\n1.0\n1.698302 -2.941545 0.000000\n1.698302 2.941545 0.000000\n0.000000 0.000000 38.850689\nTe W Se S\n4 4 2 2\ndirect\n0.333333 0.666667 0.706059 Te\n0.666667 0.333333 0.421122 Te\n0.666667 0.333333 0.518078 Te\n0.333333 0.666667 0.609100 Te\n0.333333 0.666667 0.093935 W\n0.333333 0.666667 0.469616 W\n0.666667 0.333333 0.281792 W\n0.666667 0.333333 0.657608 W\n0.333333 0.666667 0.324387 Se\n0.333333 0.666667 0.239183 Se\n0.666667 0.333333 0.055125 S\n0.666667 0.333333 0.132744 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.27913472020431,
"density_atomic": 0.030914491507054366,
"volume": 388.1674714676036,
"volume_molar": 19.479992930259943,
"formula_full": "Te4 W4 Se2 S2",
"formula_reduced": "Te2W2SeS",
"formula_anonymous": "ABC2D2",
"energy": -87.17976158,
"energy_per_atom": -7.264980131666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.54176158,
"band_gap": 1.1071000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.402000Z",
"spacegroup": 156
},
{
"id": "mp-1028669",
"created_at": "2022-09-04T14:48:11.825268Z",
"structure_string": "Te2 W4 Se2 S4\n1.0\n1.653225 -2.863470 0.000000\n1.653225 2.863470 0.000000\n0.000000 0.000000 37.629001\nTe W Se S\n2 4 2 4\ndirect\n0.333333 0.666667 0.708629 Te\n0.333333 0.666667 0.606463 Te\n0.333333 0.666667 0.093932 W\n0.333333 0.666667 0.469640 W\n0.666667 0.333333 0.281808 W\n0.666667 0.333333 0.657555 W\n0.666667 0.333333 0.049098 Se\n0.666667 0.333333 0.138747 Se\n0.333333 0.666667 0.322547 S\n0.666667 0.333333 0.428891 S\n0.666667 0.333333 0.510394 S\n0.333333 0.666667 0.241045 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 5.950785234270379,
"density_atomic": 0.03368247222678708,
"volume": 356.26838550338385,
"volume_molar": 17.879153048661006,
"formula_full": "Te2 W4 Se2 S4",
"formula_reduced": "TeW2SeS2",
"formula_anonymous": "ABC2D2",
"energy": -90.76967438,
"energy_per_atom": -7.564139531666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.81367438,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:38.802000Z",
"spacegroup": 156
},
{
"id": "mp-1028445",
"created_at": "2022-09-04T14:46:52.618848Z",
"structure_string": "Te4 W4 Se2 S2\n1.0\n1.698133 -2.941253 0.000000\n1.698133 2.941253 0.000000\n0.000000 0.000000 38.826752\nTe W Se S\n4 4 2 2\ndirect\n0.000000 0.000000 0.330297 Te\n0.000000 0.000000 0.706007 Te\n0.000000 0.000000 0.233341 Te\n0.000000 0.000000 0.609045 Te\n0.000000 0.000000 0.093895 W\n0.000000 0.000000 0.469664 W\n0.333333 0.666667 0.281797 W\n0.333333 0.666667 0.657552 W\n0.333333 0.666667 0.051321 Se\n0.333333 0.666667 0.136500 Se\n0.333333 0.666667 0.430846 S\n0.333333 0.666667 0.508484 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.284254970556774,
"density_atomic": 0.030939700384246618,
"volume": 387.8512025316822,
"volume_molar": 19.46412112984215,
"formula_full": "Te4 W4 Se2 S2",
"formula_reduced": "Te2W2SeS",
"formula_anonymous": "ABC2D2",
"energy": -87.20988940000001,
"energy_per_atom": -7.267490783333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.5718894,
"band_gap": 0.1404,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0077649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.099000Z",
"spacegroup": 156
},
{
"id": "mp-1028793",
"created_at": "2022-09-04T14:46:55.517362Z",
"structure_string": "Te2 W4 Se2 S4\n1.0\n1.653391 -2.863758 0.000000\n1.653391 2.863758 0.000000\n0.000000 0.000000 37.724780\nTe W Se S\n2 4 2 4\ndirect\n0.333333 0.666667 0.418738 Te\n0.333333 0.666667 0.520647 Te\n0.000000 0.000000 0.093935 W\n0.000000 0.000000 0.469672 W\n0.333333 0.666667 0.281752 W\n0.333333 0.666667 0.657551 W\n0.000000 0.000000 0.326472 Se\n0.000000 0.000000 0.237032 Se\n0.000000 0.000000 0.698229 S\n0.333333 0.666667 0.053244 S\n0.333333 0.666667 0.134609 S\n0.000000 0.000000 0.616867 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 5.93448404113619,
"density_atomic": 0.03359020465815702,
"volume": 357.24700465872064,
"volume_molar": 17.92826456785993,
"formula_full": "Te2 W4 Se2 S4",
"formula_reduced": "TeW2SeS2",
"formula_anonymous": "ABC2D2",
"energy": -90.75714966,
"energy_per_atom": -7.563095805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.80114966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.99e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.045000Z",
"spacegroup": 156
},
{
"id": "mp-1028468",
"created_at": "2022-09-04T14:40:52.738598Z",
"structure_string": "Te2 W4 Se2 S4\n1.0\n1.653184 -2.863399 0.000000\n1.653184 2.863399 0.000000\n0.000000 0.000000 37.710000\nTe W Se S\n2 4 2 4\ndirect\n0.333333 0.666667 0.708595 Te\n0.333333 0.666667 0.606589 Te\n0.333333 0.666667 0.093928 W\n0.333333 0.666667 0.469586 W\n0.666667 0.333333 0.281800 W\n0.666667 0.333333 0.657600 W\n0.666667 0.333333 0.424825 Se\n0.666667 0.333333 0.514383 Se\n0.333333 0.666667 0.322477 S\n0.666667 0.333333 0.053240 S\n0.666667 0.333333 0.134605 S\n0.333333 0.666667 0.241120 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 5.9382977826600785,
"density_atomic": 0.03361179109387961,
"volume": 357.0175706044147,
"volume_molar": 17.916750533108527,
"formula_full": "Te2 W4 Se2 S4",
"formula_reduced": "TeW2SeS2",
"formula_anonymous": "ABC2D2",
"energy": -90.76190941,
"energy_per_atom": -7.563492450833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.80590941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.469000Z",
"spacegroup": 156
},
{
"id": "mp-1028729",
"created_at": "2022-09-04T14:39:09.661109Z",
"structure_string": "Te2 W4 Se4 S2\n1.0\n1.671158 -2.894531 0.000000\n1.671158 2.894531 0.000000\n0.000000 0.000000 38.099468\nTe W Se S\n2 4 4 2\ndirect\n0.333333 0.666667 0.707597 Te\n0.333333 0.666667 0.607490 Te\n0.333333 0.666667 0.093902 W\n0.333333 0.666667 0.469664 W\n0.666667 0.333333 0.281813 W\n0.666667 0.333333 0.657562 W\n0.333333 0.666667 0.325721 Se\n0.666667 0.333333 0.049997 Se\n0.666667 0.333333 0.137822 Se\n0.333333 0.666667 0.237870 Se\n0.666667 0.333333 0.429693 S\n0.666667 0.333333 0.509616 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.174375234539739,
"density_atomic": 0.032556418419419614,
"volume": 368.590913330998,
"volume_molar": 18.497553024468587,
"formula_full": "Te2 W4 Se4 S2",
"formula_reduced": "TeW2Se2S",
"formula_anonymous": "ABC2D2",
"energy": -88.79936681000001,
"energy_per_atom": -7.399947234166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.90536681,
"band_gap": 0.6826000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.986000Z",
"spacegroup": 156
},
{
"id": "mp-1217019",
"created_at": "2022-09-04T14:44:10.455241Z",
"structure_string": "U4 Te2 Se2 S4\n1.0\n0.000000 -3.805342 0.000000\n-6.777913 0.000000 0.000000\n0.000000 0.000000 -11.098804\nU Te Se S\n4 2 2 4\ndirect\n0.750000 0.183503 0.669630 U\n0.750000 0.683503 0.830370 U\n0.250000 0.794468 0.345124 U\n0.250000 0.294468 0.154876 U\n0.250000 0.246427 0.458886 Te\n0.250000 0.746427 0.041114 Te\n0.750000 0.786561 0.538557 Se\n0.750000 0.286561 0.961443 Se\n0.750000 0.028593 0.238932 S\n0.750000 0.528593 0.261068 S\n0.250000 0.960448 0.769018 S\n0.250000 0.460448 0.730982 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"U",
"Te",
"Se",
"S"
],
"chemical_system": "S-Se-Te-U",
"density": 8.663376526094194,
"density_atomic": 0.041919431045716556,
"volume": 286.2634272615251,
"volume_molar": 14.365988778407713,
"formula_full": "U4 Te2 Se2 S4",
"formula_reduced": "U2TeSeS2",
"formula_anonymous": "ABC2D2",
"energy": -92.36261591,
"energy_per_atom": -7.696884659166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.56261591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.7680319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.521000Z",
"spacegroup": 26
}
]
}