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-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-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-1072192",
"created_at": "2022-09-04T14:41:34.460697Z",
"structure_string": "Ti2 S4\n1.0\n2.310173 -4.001338 0.000000\n2.310173 4.001338 0.000000\n0.000000 0.000000 4.978660\nTi S\n2 4\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.333333 0.666667 0.750000 S\n0.666667 0.333333 0.250000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.041041179932122,
"density_atomic": 0.06518670717318581,
"volume": 92.04330545581027,
"volume_molar": 9.238295691176091,
"formula_full": "Ti2 S4",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -37.51837646,
"energy_per_atom": -6.2530627433333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.50637646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0132202,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.848000Z",
"spacegroup": 194
},
{
"id": "mp-1042098",
"created_at": "2022-09-04T14:41:53.089912Z",
"structure_string": "Ti2 S4\n1.0\n-2.914031 2.914031 5.025474\n2.914031 -2.914031 5.025474\n2.914031 2.914031 -5.025474\nTi S\n2 4\ndirect\n0.750000 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.875000 0.916279 0.541279 S\n0.083721 0.625000 0.958721 S\n0.375000 0.333721 0.458721 S\n0.666279 0.125000 0.041279 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.1790145282785502,
"density_atomic": 0.03515004565813342,
"volume": 170.69679107548046,
"volume_molar": 17.132668385614252,
"formula_full": "Ti2 S4",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -40.62201987,
"energy_per_atom": -6.770336645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.61001987,
"band_gap": 1.6382,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.693000Z",
"spacegroup": 122
},
{
"id": "mp-1217172",
"created_at": "2022-09-04T14:41:20.362738Z",
"structure_string": "Ti5 S8\n1.0\n23.689361 -1.714889 0.000000\n23.689361 1.714889 0.000000\n23.565219 0.000000 2.967679\nTi S\n5 8\ndirect\n0.000013 0.000013 0.000013 Ti\n0.498333 0.498333 0.498333 Ti\n0.250136 0.250136 0.250136 Ti\n0.749953 0.749953 0.749953 Ti\n0.544187 0.544187 0.544187 Ti\n0.187513 0.187513 0.187513 S\n0.686408 0.686408 0.686408 S\n0.313529 0.313529 0.313529 S\n0.812329 0.812329 0.812329 S\n0.603179 0.603179 0.603179 S\n0.103103 0.103103 0.103103 S\n0.896073 0.896073 0.896073 S\n0.396895 0.396895 0.396895 S\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.4148176252657096,
"density_atomic": 0.05391468502090612,
"volume": 241.121690592444,
"volume_molar": 11.169759700283581,
"formula_full": "Ti5 S8",
"formula_reduced": "Ti5S8",
"formula_anonymous": "A5B8",
"energy": -93.17566194,
"energy_per_atom": -7.167358610769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.15166194,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0315062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.866000Z",
"spacegroup": 160
},
{
"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-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-1217166",
"created_at": "2022-09-04T14:43:55.455584Z",
"structure_string": "Ti5 S8\n1.0\n1.709903 12.046685 0.000000\n-1.709903 12.046685 0.000000\n0.000000 1.378816 5.786911\nTi S\n5 8\ndirect\n0.757794 0.757794 0.911601 Ti\n0.624900 0.624900 0.034313 Ti\n0.124973 0.124973 0.553016 Ti\n0.374876 0.374876 0.955848 Ti\n0.877307 0.877307 0.450171 Ti\n0.312200 0.312200 0.674567 S\n0.812649 0.812649 0.193640 S\n0.063662 0.063662 0.934438 S\n0.567267 0.567267 0.431449 S\n0.437088 0.437088 0.231730 S\n0.935051 0.935051 0.735264 S\n0.688848 0.688848 0.651134 S\n0.190294 0.190294 0.147480 S\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.453726689820801,
"density_atomic": 0.05452899892874845,
"volume": 238.40525693469533,
"volume_molar": 11.043923193728471,
"formula_full": "Ti5 S8",
"formula_reduced": "Ti5S8",
"formula_anonymous": "A5B8",
"energy": -94.16910641,
"energy_per_atom": -7.243777416153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.14510641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0401146,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.163000Z",
"spacegroup": 8
},
{
"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-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-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
}
]
}