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=77",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=75",
"results": [
{
"id": "mp-558110",
"created_at": "2022-09-04T14:46:30.539244Z",
"structure_string": "Ti1 S2\n1.0\n8.666707 -1.704801 0.000000\n8.666707 1.704801 0.000000\n8.331361 0.000000 2.933697\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.388510 0.388510 0.388510 S\n0.611490 0.611490 0.611490 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.1452723183333924,
"density_atomic": 0.03460574445922604,
"volume": 86.69080948496074,
"volume_molar": 17.402141910559223,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -20.96426465,
"energy_per_atom": -6.988088216666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.95826465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025335,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.553000Z",
"spacegroup": 166
},
{
"id": "mp-1101023",
"created_at": "2022-09-04T14:39:48.256121Z",
"structure_string": "Ti2 S2\n1.0\n20.007067 -0.000000 0.000000\n-20.007067 34.648165 0.000000\n0.000000 0.000000 18.623698\nTi S\n2 2\ndirect\n-0.000000 -0.000000 0.114633 Ti\n-0.000000 0.500000 0.885367 Ti\n-0.000000 0.000000 0.002862 S\n0.000000 0.500000 0.997138 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 0.02056222877830869,
"density_atomic": 0.00030983494992015793,
"volume": 12910.0993965683,
"volume_molar": 1943.660894793134,
"formula_full": "Ti2 S2",
"formula_reduced": "TiS",
"formula_anonymous": "AB",
"energy": -19.53763946,
"energy_per_atom": -4.884409865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.53163946,
"band_gap": 0.7961,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9999295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.575000Z",
"spacegroup": 59
},
{
"id": "mp-1217163",
"created_at": "2022-09-04T14:42:45.666279Z",
"structure_string": "Ti5 S8\n1.0\n3.413790 0.000000 0.000000\n0.000000 5.943350 0.000000\n0.000000 1.751720 11.759614\nTi S\n5 8\ndirect\n0.000000 0.012488 0.999219 Ti\n0.500000 0.492826 0.999249 Ti\n0.000000 0.496704 0.495892 Ti\n0.500000 0.992092 0.502989 Ti\n0.500000 0.414609 0.264533 Ti\n0.500000 0.299487 0.615742 S\n0.000000 0.794610 0.621266 S\n0.500000 0.714773 0.373319 S\n0.000000 0.193830 0.371866 S\n0.000000 0.628160 0.130413 S\n0.500000 0.132475 0.126985 S\n0.000000 0.370810 0.877837 S\n0.500000 0.868556 0.886430 S\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.4509814074532517,
"density_atomic": 0.05448565516917407,
"volume": 238.59491015820453,
"volume_molar": 11.05270871994047,
"formula_full": "Ti5 S8",
"formula_reduced": "Ti5S8",
"formula_anonymous": "A5B8",
"energy": -94.24360146,
"energy_per_atom": -7.2495078046153845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.21960146,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0163333,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.996000Z",
"spacegroup": 6
},
{
"id": "mp-680850",
"created_at": "2022-09-04T14:47:25.237156Z",
"structure_string": "Ti32 S12\n1.0\n1.667927 12.497719 0.000000\n-1.667927 12.497719 0.000000\n0.000000 10.440699 16.128402\nTi S\n32 12\ndirect\n0.595269 0.595269 0.585447 Ti\n0.011436 0.011436 0.574925 Ti\n0.940044 0.940044 0.280500 Ti\n0.551240 0.551240 0.278167 Ti\n0.847920 0.847920 0.202714 Ti\n0.836519 0.836519 0.845800 Ti\n0.009867 0.009867 0.088605 Ti\n0.163481 0.163481 0.154200 Ti\n0.328911 0.328911 0.339473 Ti\n0.988564 0.988564 0.425075 Ti\n0.580149 0.580149 0.427699 Ti\n0.718255 0.718255 0.392981 Ti\n0.704880 0.704880 0.872642 Ti\n0.432551 0.432551 0.056212 Ti\n0.801494 0.801494 0.467076 Ti\n0.448760 0.448760 0.721833 Ti\n0.152080 0.152080 0.797286 Ti\n0.295120 0.295120 0.127358 Ti\n0.766688 0.766688 0.040919 Ti\n0.233312 0.233312 0.959081 Ti\n0.059956 0.059956 0.719500 Ti\n0.567449 0.567449 0.943788 Ti\n0.671089 0.671089 0.660527 Ti\n0.990133 0.990133 0.911395 Ti\n0.378807 0.378807 0.931846 Ti\n0.404731 0.404731 0.414553 Ti\n0.419851 0.419851 0.572301 Ti\n0.695928 0.695928 0.250537 Ti\n0.281745 0.281745 0.607019 Ti\n0.304072 0.304072 0.749463 Ti\n0.198506 0.198506 0.532924 Ti\n0.621193 0.621193 0.068154 Ti\n0.946239 0.946239 0.823648 S\n0.743723 0.743723 0.719807 S\n0.128978 0.128978 0.967409 S\n0.053761 0.053761 0.176352 S\n0.108011 0.108011 0.314534 S\n0.130128 0.130128 0.472522 S\n0.891989 0.891989 0.685466 S\n0.428120 0.428120 0.191173 S\n0.869872 0.869872 0.527478 S\n0.256277 0.256277 0.280193 S\n0.571880 0.571880 0.808827 S\n0.871022 0.871022 0.032591 S\n",
"nsites": 44,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.732975207820129,
"density_atomic": 0.06543702498361882,
"volume": 672.402206717294,
"volume_molar": 9.202956218604914,
"formula_full": "Ti32 S12",
"formula_reduced": "Ti8S3",
"formula_anonymous": "A3B8",
"energy": -347.13216081,
"energy_per_atom": -7.889367291136364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -341.09616081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6917435,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.027000Z",
"spacegroup": 12
},
{
"id": "mp-1101258",
"created_at": "2022-09-04T14:42:26.752323Z",
"structure_string": "Ti3 S6\n1.0\n1.710265 -2.962266 0.000000\n1.710265 2.962266 0.000000\n0.000000 0.000000 20.182872\nTi S\n3 6\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.854439 Ti\n0.000000 0.000000 0.145561 Ti\n0.333333 0.666667 0.570195 S\n0.333333 0.666667 0.924432 S\n0.333333 0.666667 0.215751 S\n0.666667 0.333333 0.784249 S\n0.666667 0.333333 0.075568 S\n0.666667 0.333333 0.429805 S\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.7282007137692332,
"density_atomic": 0.04400905932889769,
"volume": 204.50334856601503,
"volume_molar": 13.683866121732075,
"formula_full": "Ti3 S6",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -62.95759273,
"energy_per_atom": -6.995288081111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.93959273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0335174,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.263000Z",
"spacegroup": 164
},
{
"id": "mp-559374",
"created_at": "2022-09-04T14:47:56.930010Z",
"structure_string": "Ti1 S3\n1.0\n3.615248 -6.012929 0.000000\n3.615248 6.012929 0.000000\n-6.385537 0.000000 2.906930\nTi S\n1 3\ndirect\n0.999903 0.999903 0.999903 Ti\n0.677269 0.411414 0.411414 S\n0.411414 0.677269 0.411414 S\n0.411414 0.411414 0.677269 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 1.8928220970873022,
"density_atomic": 0.03164982051127242,
"volume": 126.38302320151729,
"volume_molar": 19.027408884847073,
"formula_full": "Ti1 S3",
"formula_reduced": "TiS3",
"formula_anonymous": "AB3",
"energy": -23.50746311,
"energy_per_atom": -5.8768657775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.99846311,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.845000Z",
"spacegroup": 160
},
{
"id": "mp-1386900",
"created_at": "2022-09-04T14:40:03.680329Z",
"structure_string": "Ti4 S8\n1.0\n-6.104790 0.000000 0.000000\n2.689478 5.965914 0.000000\n-0.872622 -3.117189 -8.299361\nTi S\n4 8\ndirect\n0.499777 0.168941 0.627063 Ti\n0.000000 0.000000 0.000000 Ti\n0.500223 0.831059 0.372937 Ti\n0.000000 0.500000 0.500000 Ti\n0.867622 0.297601 0.783333 S\n0.624688 0.518452 0.387161 S\n0.250513 0.987458 0.850792 S\n0.212130 0.905829 0.496903 S\n0.787870 0.094171 0.503097 S\n0.749487 0.012542 0.149208 S\n0.375312 0.481548 0.612839 S\n0.132378 0.702399 0.216667 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.461065118200418,
"density_atomic": 0.03969985062042037,
"volume": 302.2681398661881,
"volume_molar": 15.169177379479601,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -67.36677375,
"energy_per_atom": -5.613897812499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.34277375,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6088039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.760000Z",
"spacegroup": 2
},
{
"id": "mp-673657",
"created_at": "2022-09-04T14:47:28.761203Z",
"structure_string": "Ti14 S24\n1.0\n-6.862497 0.000000 0.000000\n1.728368 8.830407 0.000000\n-0.002918 -1.966449 -11.672146\nTi S\n14 24\ndirect\n0.166905 0.669998 0.496760 Ti\n0.179026 0.721317 0.764604 Ti\n0.247481 0.002536 0.997827 Ti\n0.500000 0.000000 0.500000 Ti\n0.578931 0.333329 0.998203 Ti\n0.329564 0.321110 0.500968 Ti\n0.833095 0.330002 0.503240 Ti\n0.919747 0.663448 0.998592 Ti\n0.421069 0.666671 0.001797 Ti\n0.670436 0.678890 0.499032 Ti\n0.752519 0.997464 0.002173 Ti\n0.000000 0.000000 0.500000 Ti\n0.080253 0.336552 0.001408 Ti\n0.820974 0.278683 0.235396 Ti\n0.201039 0.802901 0.117022 S\n0.228526 0.915176 0.626720 S\n0.531078 0.135978 0.126465 S\n0.270515 0.082632 0.378093 S\n0.561571 0.248636 0.622409 S\n0.300193 0.195722 0.878458 S\n0.369389 0.471843 0.122139 S\n0.868836 0.480111 0.129089 S\n0.608357 0.417250 0.376817 S\n0.391643 0.582750 0.623183 S\n0.898297 0.585378 0.626988 S\n0.630611 0.528157 0.877861 S\n0.699807 0.804278 0.121542 S\n0.937518 0.750508 0.377402 S\n0.438429 0.751364 0.377591 S\n0.729485 0.917368 0.621907 S\n0.961358 0.864015 0.872363 S\n0.468922 0.864022 0.873535 S\n0.038642 0.135985 0.127637 S\n0.771474 0.084824 0.373280 S\n0.062482 0.249492 0.622598 S\n0.798961 0.197099 0.882978 S\n0.101703 0.414622 0.373012 S\n0.131164 0.519889 0.870911 S\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.379923719737227,
"density_atomic": 0.05372420489598983,
"volume": 707.3161915298342,
"volume_molar": 11.209362282157318,
"formula_full": "Ti14 S24",
"formula_reduced": "Ti7S12",
"formula_anonymous": "A7B12",
"energy": -273.38226628,
"energy_per_atom": -7.194270165263158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -261.31026628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007185,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.793000Z",
"spacegroup": 2
},
{
"id": "mp-1217265",
"created_at": "2022-09-04T14:43:49.370399Z",
"structure_string": "Th1 U1 S2\n1.0\n3.965967 0.000000 0.000000\n0.000000 3.965967 0.000000\n0.000000 0.000000 5.615632\nTh U S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"U",
"S"
],
"chemical_system": "S-Th-U",
"density": 10.042773900457409,
"density_atomic": 0.045285916219486605,
"volume": 88.32768184733763,
"volume_molar": 13.2980433272291,
"formula_full": "Th1 U1 S2",
"formula_reduced": "ThUS2",
"formula_anonymous": "ABC2",
"energy": -34.28109164,
"energy_per_atom": -8.57027291,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.27509164,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4843281,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.929000Z",
"spacegroup": 123
},
{
"id": "mp-1217436",
"created_at": "2022-09-04T14:47:38.486480Z",
"structure_string": "Th4 U8 S20\n1.0\n7.416752 0.000000 0.000000\n0.000000 7.955353 0.000000\n0.000000 0.000000 11.822763\nTh U S\n4 8 20\ndirect\n0.022875 0.498842 0.821950 Th\n0.977125 0.998842 0.178050 Th\n0.522875 0.998842 0.678050 Th\n0.477125 0.498842 0.321950 Th\n0.574481 0.251395 0.992424 U\n0.925519 0.251395 0.492424 U\n0.425519 0.751395 0.007576 U\n0.074481 0.751395 0.507576 U\n0.477909 0.000349 0.319929 U\n0.522091 0.500349 0.680071 U\n0.977909 0.500349 0.180071 U\n0.022091 0.000349 0.819929 U\n0.336348 0.044074 0.099314 S\n0.168083 0.455458 0.597421 S\n0.663652 0.544074 0.900686 S\n0.831917 0.955458 0.402579 S\n0.668083 0.955458 0.902579 S\n0.836348 0.544074 0.400686 S\n0.331917 0.455458 0.097421 S\n0.163652 0.044074 0.599314 S\n0.700088 0.249718 0.216406 S\n0.799912 0.249718 0.716406 S\n0.299912 0.749718 0.783594 S\n0.200088 0.749718 0.283594 S\n0.329099 0.249969 0.812430 S\n0.170901 0.249969 0.312430 S\n0.670901 0.749969 0.187570 S\n0.829099 0.749969 0.687570 S\n0.962173 0.250194 0.999041 S\n0.537827 0.250194 0.499041 S\n0.037827 0.750194 0.000959 S\n0.462173 0.750194 0.500959 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Th",
"U",
"S"
],
"chemical_system": "S-Th-U",
"density": 8.268888757621268,
"density_atomic": 0.04587306748717086,
"volume": 697.5770697904454,
"volume_molar": 13.12783532883252,
"formula_full": "Th4 U8 S20",
"formula_reduced": "ThU2S5",
"formula_anonymous": "AB2C5",
"energy": -263.99014316,
"energy_per_atom": -8.24969197375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -253.93014316,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.3956953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.506000Z",
"spacegroup": 33
},
{
"id": "mp-1217311",
"created_at": "2022-09-04T14:41:06.176277Z",
"structure_string": "Th1 U1 S2\n1.0\n6.802574 -1.940627 0.000000\n6.802574 1.940627 0.000000\n6.248955 0.000000 3.315360\nTh U S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 U\n0.245671 0.245671 0.245671 S\n0.754329 0.754329 0.754329 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"U",
"S"
],
"chemical_system": "S-Th-U",
"density": 10.133850300134998,
"density_atomic": 0.04569660735385377,
"volume": 87.53385057726095,
"volume_molar": 13.178529236026817,
"formula_full": "Th1 U1 S2",
"formula_reduced": "ThUS2",
"formula_anonymous": "ABC2",
"energy": -34.37034994,
"energy_per_atom": -8.592587485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.36434994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.204314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.187000Z",
"spacegroup": 166
},
{
"id": "mp-1666",
"created_at": "2022-09-04T14:39:40.722836Z",
"structure_string": "Th8 S20\n1.0\n7.628541 0.000000 0.000000\n0.000000 7.668871 0.000000\n0.000000 0.000000 10.231664\nTh S\n8 20\ndirect\n0.233100 0.019791 0.853472 Th\n0.266900 0.519791 0.646528 Th\n0.733100 0.980209 0.646528 Th\n0.766900 0.480209 0.853472 Th\n0.766900 0.980209 0.146528 Th\n0.733100 0.480209 0.353472 Th\n0.266900 0.019791 0.353472 Th\n0.233100 0.519791 0.146528 Th\n0.362204 0.388360 0.391651 S\n0.137796 0.888360 0.108349 S\n0.862204 0.611640 0.108349 S\n0.637796 0.111640 0.391651 S\n0.637796 0.611640 0.608349 S\n0.862204 0.111640 0.891651 S\n0.137796 0.388360 0.891651 S\n0.362204 0.888360 0.608349 S\n0.900923 0.850430 0.399223 S\n0.599077 0.350430 0.100777 S\n0.400923 0.149570 0.100777 S\n0.099077 0.649570 0.399223 S\n0.099077 0.149570 0.600777 S\n0.400923 0.649570 0.899223 S\n0.599077 0.850430 0.899223 S\n0.900923 0.350430 0.600777 S\n0.000000 0.250000 0.247325 S\n0.500000 0.750000 0.252675 S\n0.000000 0.750000 0.752675 S\n0.500000 0.250000 0.747325 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Th",
"S"
],
"chemical_system": "S-Th",
"density": 6.928728998314321,
"density_atomic": 0.046777697854087016,
"volume": 598.5758445689223,
"volume_molar": 12.873957112606897,
"formula_full": "Th8 S20",
"formula_reduced": "Th2S5",
"formula_anonymous": "A2B5",
"energy": -200.63805859,
"energy_per_atom": -7.165644949642858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.57805859,
"band_gap": 1.7512999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004133,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.240000Z",
"spacegroup": 60
}
]
}