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=76",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=74",
"results": [
{
"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-1217192",
"created_at": "2022-09-04T14:48:11.812186Z",
"structure_string": "Ti8 S12\n1.0\n2.983385 5.194317 0.000000\n-2.983385 5.194317 0.000000\n0.000000 3.440893 11.299288\nTi S\n8 12\ndirect\n0.539298 0.706662 0.380237 Ti\n0.873021 0.037326 0.382499 Ti\n0.126979 0.962674 0.617501 Ti\n0.460702 0.293338 0.619763 Ti\n0.706662 0.539298 0.880237 Ti\n0.037326 0.873021 0.882499 Ti\n0.293338 0.460702 0.119763 Ti\n0.962674 0.126979 0.117501 Ti\n0.753784 0.916686 0.748372 S\n0.414326 0.585674 0.750000 S\n0.083314 0.246216 0.751628 S\n0.585674 0.414326 0.250000 S\n0.246216 0.083314 0.251628 S\n0.916686 0.753784 0.248372 S\n0.500000 0.000000 0.500000 S\n0.161594 0.658570 0.499726 S\n0.838406 0.341430 0.500274 S\n0.341430 0.838406 0.000274 S\n0.000000 0.500000 0.000000 S\n0.658570 0.161594 0.999726 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.640247089126399,
"density_atomic": 0.05710986974213185,
"volume": 350.2021645348866,
"volume_molar": 10.544833646428835,
"formula_full": "Ti8 S12",
"formula_reduced": "Ti2S3",
"formula_anonymous": "A2B3",
"energy": -146.42093919,
"energy_per_atom": -7.3210469595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.38493919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074959,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.395000Z",
"spacegroup": 15
},
{
"id": "mp-936075",
"created_at": "2022-09-04T14:43:24.850100Z",
"structure_string": "Ti4 S8\n1.0\n6.104790 0.000000 0.000000\n-2.689478 -5.965914 0.000000\n0.872622 3.117189 -8.299361\nTi S\n4 8\ndirect\n0.499777 0.541878 0.627063 Ti\n0.000000 0.000000 0.000000 Ti\n0.500223 0.458122 0.372937 Ti\n0.000000 0.000000 0.500000 Ti\n0.867622 0.514267 0.783333 S\n0.624688 0.131292 0.387161 S\n0.250513 0.136666 0.850792 S\n0.212130 0.408926 0.496903 S\n0.787870 0.591074 0.503097 S\n0.749487 0.863334 0.149208 S\n0.375312 0.868708 0.612839 S\n0.132378 0.485733 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": -60.47538113,
"energy_per_atom": -5.039615094166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.45138113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1365471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.143000Z",
"spacegroup": 2
},
{
"id": "mp-9920",
"created_at": "2022-09-04T14:44:52.409165Z",
"structure_string": "Ti2 S6\n1.0\n3.415617 0.000000 0.000000\n0.000000 5.029730 0.000000\n0.000000 0.956379 9.469642\nTi S\n2 6\ndirect\n0.250000 0.722972 0.641355 Ti\n0.750000 0.277028 0.358645 Ti\n0.250000 0.104252 0.199565 S\n0.750000 0.895748 0.800435 S\n0.750000 0.758849 0.453327 S\n0.250000 0.241151 0.546673 S\n0.750000 0.489814 0.800644 S\n0.250000 0.510186 0.199356 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.9409059312397394,
"density_atomic": 0.04917479831174073,
"volume": 162.68495804058966,
"volume_molar": 12.24639646068906,
"formula_full": "Ti2 S6",
"formula_reduced": "TiS3",
"formula_anonymous": "AB3",
"energy": -51.34930835,
"energy_per_atom": -6.41866354375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.33130835,
"band_gap": 0.2261000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001759,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.945000Z",
"spacegroup": 11
},
{
"id": "mp-2156",
"created_at": "2022-09-04T14:47:11.547936Z",
"structure_string": "Ti1 S2\n1.0\n1.708499 -2.959207 0.000000\n1.708499 2.959207 0.000000\n0.000000 0.000000 6.418992\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.220963 S\n0.666667 0.333333 0.779037 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.8652899891541113,
"density_atomic": 0.046220469223821954,
"volume": 64.90630775452632,
"volume_molar": 13.029164050321237,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -20.99282918,
"energy_per_atom": -6.997609726666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.98682918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.33e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.396000Z",
"spacegroup": 164
},
{
"id": "mp-1072088",
"created_at": "2022-09-04T14:46:37.778516Z",
"structure_string": "Ti2 S4\n1.0\n3.410792 0.000000 0.000000\n0.000000 5.435823 0.000000\n0.000000 0.000000 6.130934\nTi S\n2 4\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.746983 0.155538 S\n0.500000 0.253017 0.844462 S\n0.000000 0.246983 0.344462 S\n0.000000 0.753017 0.655538 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.272188388883109,
"density_atomic": 0.052784214964422795,
"volume": 113.67034641026817,
"volume_molar": 11.408980438676593,
"formula_full": "Ti2 S4",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -41.27761213,
"energy_per_atom": -6.879602021666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.26561213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.946000Z",
"spacegroup": 58
},
{
"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-9027",
"created_at": "2022-09-04T14:41:36.840284Z",
"structure_string": "Ti4 S8\n1.0\n0.000000 4.909434 4.909434\n4.909434 0.000000 4.909434\n4.909434 4.909434 0.000000\nTi S\n4 8\ndirect\n0.125000 0.125000 0.625000 Ti\n0.125000 0.625000 0.125000 Ti\n0.625000 0.125000 0.125000 Ti\n0.125000 0.125000 0.125000 Ti\n0.372798 0.372798 0.372798 S\n0.368393 0.877202 0.877202 S\n0.877202 0.877202 0.368393 S\n0.877202 0.368393 0.877202 S\n0.877202 0.877202 0.877202 S\n0.881607 0.372798 0.372798 S\n0.372798 0.881607 0.372798 S\n0.372798 0.372798 0.881607 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.143338883630548,
"density_atomic": 0.05070572217152093,
"volume": 236.65968032972515,
"volume_molar": 11.876649226351734,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -83.72853265,
"energy_per_atom": -6.977377720833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.70453265,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.092000Z",
"spacegroup": 227
},
{
"id": "mp-557762",
"created_at": "2022-09-04T14:45:12.723156Z",
"structure_string": "Ti3 S3\n1.0\n8.919153 -1.726032 0.000000\n8.919153 1.726032 0.000000\n8.585132 0.000000 2.970856\nTi S\n3 3\ndirect\n0.500000 0.500000 0.500000 Ti\n0.618710 0.618710 0.618710 Ti\n0.381290 0.381290 0.381290 Ti\n0.000000 0.000000 0.000000 S\n0.776636 0.776636 0.776636 S\n0.223364 0.223364 0.223364 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.35318353137896,
"density_atomic": 0.06559446526832179,
"volume": 91.47113213677865,
"volume_molar": 9.180867220070676,
"formula_full": "Ti3 S3",
"formula_reduced": "TiS",
"formula_anonymous": "AB",
"energy": -45.57831647,
"energy_per_atom": -7.596386078333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.06931647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0217114,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.375000Z",
"spacegroup": 166
},
{
"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-1102845",
"created_at": "2022-09-04T14:46:22.622058Z",
"structure_string": "Ti4 S8\n1.0\n6.006551 0.000000 0.000000\n0.000000 6.006551 0.000000\n0.000000 0.000000 6.006551\nTi S\n4 8\ndirect\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.141959 0.858041 0.358041 S\n0.858041 0.358041 0.141959 S\n0.358041 0.141959 0.858041 S\n0.641959 0.641959 0.641959 S\n0.858041 0.141959 0.641959 S\n0.141959 0.641959 0.858041 S\n0.641959 0.858041 0.141959 S\n0.358041 0.358041 0.358041 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.4327325783417333,
"density_atomic": 0.055373979978094734,
"volume": 216.7082807619581,
"volume_molar": 10.875398088384264,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -80.11886867,
"energy_per_atom": -6.676572389166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.09486867,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006359,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.266000Z",
"spacegroup": 205
},
{
"id": "mp-1008682",
"created_at": "2022-09-04T14:45:56.404252Z",
"structure_string": "Ti1 S2\n1.0\n-1.576078 1.576078 4.779394\n1.576078 -1.576078 4.779394\n1.576078 1.576078 -4.779394\nTi S\n1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.863104 0.863104 0.000000 S\n0.136896 0.136896 0.000000 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.9162215053456,
"density_atomic": 0.06317322024879356,
"volume": 47.48847673405239,
"volume_molar": 9.53274304568162,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -19.66032472,
"energy_per_atom": -6.553441573333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.65432472,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0102419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.223000Z",
"spacegroup": 139
}
]
}