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-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
},
{
"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-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-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-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-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-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-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-1217073",
"created_at": "2022-09-04T14:47:23.526267Z",
"structure_string": "Ti3 S2\n1.0\n3.596642 -2.713114 0.000000\n3.596642 2.713114 0.000000\n1.550015 0.000000 4.230163\nTi S\n3 2\ndirect\n0.000000 0.335655 0.664345 Ti\n0.335655 0.664345 0.000000 Ti\n0.664345 0.000000 0.335655 Ti\n0.832161 0.832161 0.832161 S\n0.167839 0.167839 0.167839 S\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.178284977229527,
"density_atomic": 0.06056443255211098,
"volume": 82.55670513709327,
"volume_molar": 9.943361980347818,
"formula_full": "Ti3 S2",
"formula_reduced": "Ti3S2",
"formula_anonymous": "A2B3",
"energy": -37.66912934,
"energy_per_atom": -7.533825867999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.66312934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000177,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.834000Z",
"spacegroup": 155
},
{
"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-685013",
"created_at": "2022-09-04T14:47:28.342338Z",
"structure_string": "Ti4 S8\n1.0\n6.432130 0.301438 -1.167156\n-2.751332 5.440819 0.310017\n-1.652372 -0.354839 8.746512\nTi S\n4 8\ndirect\n0.203996 0.500223 0.372937 Ti\n0.000000 0.000000 0.000000 Ti\n0.796004 0.499777 0.627063 Ti\n0.000000 0.000000 0.500000 Ti\n0.919066 0.132378 0.216667 S\n0.094387 0.375312 0.612839 S\n0.161750 0.749487 0.149208 S\n0.597268 0.787870 0.503097 S\n0.402732 0.212130 0.496903 S\n0.838250 0.250513 0.850792 S\n0.905613 0.624688 0.387161 S\n0.080934 0.867622 0.783333 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.4610659063240767,
"density_atomic": 0.03969986333377416,
"volume": 302.2680430688322,
"volume_molar": 15.169172521752081,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -79.18624529,
"energy_per_atom": -6.598853774166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.16224529,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.362000Z",
"spacegroup": 2
},
{
"id": "mp-1018028",
"created_at": "2022-09-04T14:39:23.990094Z",
"structure_string": "Ti1 S1\n1.0\n1.636941 -2.835264 0.000000\n1.636941 2.835264 0.000000\n0.000000 0.000000 3.219077\nTi S\n1 1\ndirect\n0.666667 0.333333 0.000000 Ti\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.442034081440435,
"density_atomic": 0.06693327955861489,
"volume": 29.880502093858375,
"volume_molar": 8.997229479434495,
"formula_full": "Ti1 S1",
"formula_reduced": "TiS",
"formula_anonymous": "AB",
"energy": -15.47160823,
"energy_per_atom": -7.735804115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.96860823,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003947,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.546000Z",
"spacegroup": 187
}
]
}