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=12122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=12120",
"results": [
{
"id": "mp-1217101",
"created_at": "2022-09-04T14:42:07.431066Z",
"structure_string": "Ti3 S4\n1.0\n1.722192 -2.982924 0.000000\n1.722192 2.982924 0.000000\n0.000000 0.000000 11.812203\nTi S\n3 4\ndirect\n0.333333 0.666667 0.384894 Ti\n0.333333 0.666667 0.111360 Ti\n0.666667 0.333333 0.877198 Ti\n0.666667 0.333333 0.250908 S\n0.333333 0.666667 0.758841 S\n0.000000 0.000000 0.501455 S\n0.000000 0.000000 0.000344 S\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.719729457182537,
"density_atomic": 0.05767842416385207,
"volume": 121.36253896456145,
"volume_molar": 10.44088989479391,
"formula_full": "Ti3 S4",
"formula_reduced": "Ti3S4",
"formula_anonymous": "A3B4",
"energy": -51.48556483,
"energy_per_atom": -7.35508069,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.47356483,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025555,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.988000Z",
"spacegroup": 156
},
{
"id": "mp-1101099",
"created_at": "2022-09-04T14:42:01.706973Z",
"structure_string": "Ti4 S6\n1.0\n5.141227 2.973912 0.000000\n-5.141227 2.973912 0.000000\n0.000000 1.991198 5.718530\nTi S\n4 6\ndirect\n0.671761 0.328239 0.000000 Ti\n0.328239 0.671761 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.417867 0.083049 0.742763 S\n0.083049 0.417867 0.742763 S\n0.750442 0.750442 0.752875 S\n0.582133 0.916951 0.257237 S\n0.249558 0.249558 0.247125 S\n0.916951 0.582133 0.257237 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.6451080064778845,
"density_atomic": 0.057186130048087404,
"volume": 174.86757700846468,
"volume_molar": 10.530771631051142,
"formula_full": "Ti4 S6",
"formula_reduced": "Ti2S3",
"formula_anonymous": "A2B3",
"energy": -73.46890647000001,
"energy_per_atom": -7.346890647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.45090647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.738000Z",
"spacegroup": 12
},
{
"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-1101969",
"created_at": "2022-09-04T14:39:33.795474Z",
"structure_string": "Ti4 S8\n1.0\n3.604223 0.000000 0.000000\n0.000000 6.627529 0.000000\n0.000000 0.000000 7.961517\nTi S\n4 8\ndirect\n0.250000 0.744937 0.614422 Ti\n0.250000 0.244937 0.885578 Ti\n0.750000 0.255063 0.385578 Ti\n0.750000 0.755063 0.114422 Ti\n0.250000 0.864972 0.916722 S\n0.250000 0.364972 0.583278 S\n0.750000 0.135028 0.083278 S\n0.750000 0.635028 0.416722 S\n0.750000 0.523787 0.849543 S\n0.750000 0.023787 0.650457 S\n0.250000 0.476213 0.150457 S\n0.250000 0.976213 0.349543 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.911617326319758,
"density_atomic": 0.06309894947139565,
"volume": 190.1774926607915,
"volume_molar": 9.543963584892944,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -80.56908249,
"energy_per_atom": -6.7140902075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.54508249,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.848000Z",
"spacegroup": 62
},
{
"id": "mp-1008676",
"created_at": "2022-09-04T14:39:24.826805Z",
"structure_string": "Ti1 S2\n1.0\n2.156773 -3.735641 0.000000\n2.156773 3.735641 0.000000\n0.000000 0.000000 2.931109\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.500000 S\n0.333333 0.666667 0.500000 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.9375306834200887,
"density_atomic": 0.06351696214336794,
"volume": 47.231477998404905,
"volume_molar": 9.48115362697458,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -17.14212463,
"energy_per_atom": -5.714041543333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.13612463,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.581000Z",
"spacegroup": 191
},
{
"id": "mp-1077263",
"created_at": "2022-09-04T14:42:56.277372Z",
"structure_string": "Ti2 S4\n1.0\n1.708315 2.959039 0.000000\n-1.708315 2.959039 0.000000\n0.000000 2.202636 17.189422\nTi S\n2 4\ndirect\n0.564371 0.564371 0.829793 Ti\n0.435629 0.435629 0.170207 Ti\n0.927451 0.927451 0.747190 S\n0.072549 0.072549 0.252810 S\n0.199401 0.199401 0.912114 S\n0.800599 0.800599 0.087886 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.1403045267073897,
"density_atomic": 0.03452560818651746,
"volume": 173.7840494390784,
"volume_molar": 17.442533459415486,
"formula_full": "Ti2 S4",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -41.95891358,
"energy_per_atom": -6.993152263333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.94691358,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.386000Z",
"spacegroup": 12
},
{
"id": "mp-1208223",
"created_at": "2022-09-04T14:46:22.795455Z",
"structure_string": "Ti5 S8\n1.0\n3.425611 5.830058 0.000000\n-3.425611 5.830058 0.000000\n0.000000 5.763333 5.927151\nTi S\n5 8\ndirect\n0.736377 0.263623 0.500000 Ti\n0.263623 0.736377 0.500000 Ti\n0.745402 0.745402 0.009901 Ti\n0.254598 0.254598 0.990099 Ti\n0.000000 0.000000 0.000000 Ti\n0.460094 0.460094 0.331559 S\n0.539906 0.539906 0.668441 S\n0.542156 0.041900 0.170024 S\n0.457844 0.958100 0.829976 S\n0.958100 0.457844 0.829976 S\n0.041900 0.542156 0.170024 S\n0.963480 0.963480 0.330629 S\n0.036520 0.036520 0.669371 S\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.4778983723036307,
"density_atomic": 0.054910632383444506,
"volume": 236.74832060246834,
"volume_molar": 10.967167010474403,
"formula_full": "Ti5 S8",
"formula_reduced": "Ti5S8",
"formula_anonymous": "A5B8",
"energy": -94.62533342,
"energy_per_atom": -7.278871801538462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.60133342,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0179826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.918000Z",
"spacegroup": 12
},
{
"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-554462",
"created_at": "2022-09-04T14:46:42.316910Z",
"structure_string": "Ti2 S2\n1.0\n1.627005 -2.818055 0.000000\n1.627005 2.818055 0.000000\n0.000000 0.000000 6.483868\nTi S\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 0.250000 S\n0.666667 0.333333 0.750000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.464751170469458,
"density_atomic": 0.06727558428722796,
"volume": 59.45693437491833,
"volume_molar": 8.95145069909602,
"formula_full": "Ti2 S2",
"formula_reduced": "TiS",
"formula_anonymous": "AB",
"energy": -30.74208944,
"energy_per_atom": -7.68552236,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.73608944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.34e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.922000Z",
"spacegroup": 194
},
{
"id": "mp-1217121",
"created_at": "2022-09-04T14:47:57.834489Z",
"structure_string": "Ti3 S4\n1.0\n1.703214 -2.950053 0.000000\n1.703214 2.950053 0.000000\n0.000000 0.000000 12.085770\nTi S\n3 4\ndirect\n0.333333 0.666667 0.244483 Ti\n0.666667 0.333333 0.755517 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 0.872556 S\n0.666667 0.333333 0.127444 S\n0.666667 0.333333 0.376345 S\n0.333333 0.666667 0.623655 S\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.717000761259412,
"density_atomic": 0.05763611278538227,
"volume": 121.45163269538448,
"volume_molar": 10.448554680334622,
"formula_full": "Ti3 S4",
"formula_reduced": "Ti3S4",
"formula_anonymous": "A3B4",
"energy": -50.65117146,
"energy_per_atom": -7.235881637142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.63917146,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.820000Z",
"spacegroup": 164
},
{
"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-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
}
]
}