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=75",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=73",
"results": [
{
"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-1216778",
"created_at": "2022-09-04T14:45:02.416189Z",
"structure_string": "Ti4 S8\n1.0\n6.334480 -3.547361 0.000000\n6.334480 3.547361 0.000000\n4.347929 0.000000 5.814200\nTi S\n4 8\ndirect\n0.378916 0.378916 0.378916 Ti\n0.991679 0.991679 0.534217 Ti\n0.534217 0.991679 0.991679 Ti\n0.991679 0.534217 0.991679 Ti\n0.755483 0.755483 0.755483 S\n0.746696 0.746696 0.228156 S\n0.228156 0.746696 0.746696 S\n0.746696 0.228156 0.746696 S\n0.242491 0.242491 0.242491 S\n0.245810 0.245810 0.767368 S\n0.767368 0.245810 0.245810 S\n0.245810 0.767368 0.245810 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.8469455410572007,
"density_atomic": 0.045924551881458435,
"volume": 261.2981402839747,
"volume_molar": 13.11311817596935,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -81.95343706,
"energy_per_atom": -6.8294530883333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.92943706,
"band_gap": 0.7773000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.408000Z",
"spacegroup": 160
},
{
"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-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-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-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-673637",
"created_at": "2022-09-04T14:45:19.436888Z",
"structure_string": "Ti27 S30\n1.0\n-9.034235 0.000000 0.000000\n-0.644218 -9.095815 0.000000\n3.873402 2.288739 10.940758\nTi S\n27 30\ndirect\n0.000685 0.002924 0.999282 Ti\n0.999225 0.357148 0.066386 Ti\n0.799226 0.999466 0.201562 Ti\n0.800651 0.350459 0.258521 Ti\n0.601827 0.002218 0.399537 Ti\n0.998143 0.994235 0.498949 Ti\n0.608224 0.357814 0.458576 Ti\n0.003281 0.349314 0.559263 Ti\n0.801417 0.005183 0.700566 Ti\n0.399876 0.000143 0.601543 Ti\n0.391593 0.356952 0.653128 Ti\n0.798209 0.650690 0.641195 Ti\n0.597274 0.003471 0.899742 Ti\n0.201116 0.001158 0.800833 Ti\n0.199318 0.353507 0.858953 Ti\n0.600770 0.354825 0.959192 Ti\n0.008043 0.646053 0.947508 Ti\n0.601295 0.649411 0.842032 Ti\n0.400245 0.006694 0.100369 Ti\n0.792470 0.640254 0.135049 Ti\n0.397724 0.651101 0.040427 Ti\n0.197029 0.350678 0.357498 Ti\n0.201277 0.649368 0.242568 Ti\n0.600447 0.650170 0.341157 Ti\n0.200090 0.999637 0.299614 Ti\n0.407949 0.640056 0.539120 Ti\n0.191827 0.642992 0.741811 Ti\n0.997853 0.513191 0.261413 S\n0.798941 0.827217 0.336770 S\n0.999614 0.168484 0.362040 S\n0.813409 0.511217 0.450102 S\n0.598591 0.829832 0.538278 S\n0.801247 0.170912 0.560599 S\n0.611598 0.488419 0.655415 S\n0.800271 0.832307 0.838698 S\n0.401179 0.828068 0.738150 S\n0.599352 0.171379 0.761616 S\n0.000059 0.172117 0.862096 S\n0.801913 0.489799 0.939035 S\n0.399077 0.500688 0.848479 S\n0.600011 0.828932 0.038793 S\n0.199224 0.829511 0.938580 S\n0.801873 0.170795 0.063245 S\n0.399642 0.172383 0.961833 S\n0.587554 0.489901 0.149845 S\n0.211834 0.489183 0.057498 S\n0.400392 0.832097 0.237814 S\n0.998847 0.828097 0.136763 S\n0.601181 0.172505 0.262497 S\n0.199185 0.172809 0.162253 S\n0.401658 0.488748 0.339573 S\n0.201916 0.828052 0.438140 S\n0.399017 0.171257 0.461939 S\n0.188684 0.513287 0.543469 S\n0.999583 0.829748 0.640033 S\n0.200397 0.170180 0.660767 S\n0.986666 0.490467 0.751136 S\n",
"nsites": 57,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.163818216876962,
"density_atomic": 0.06340075677191563,
"volume": 899.0428963656954,
"volume_molar": 9.498531352968964,
"formula_full": "Ti27 S30",
"formula_reduced": "Ti9S10",
"formula_anonymous": "A9B10",
"energy": -432.85467854,
"energy_per_atom": -7.59394172877193,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -417.76467854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007354,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.208000Z",
"spacegroup": 1
},
{
"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-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-1101100",
"created_at": "2022-09-04T14:42:15.609054Z",
"structure_string": "Ti3 S4\n1.0\n12.577097 0.000000 0.000000\n-6.288549 10.892086 0.000000\n0.000000 0.000000 6.460158\nTi S\n3 4\ndirect\n0.333333 0.666667 0.724841 Ti\n0.666667 0.333333 0.525682 Ti\n0.666667 0.333333 0.225700 Ti\n0.000000 0.000000 0.727123 S\n0.000000 0.000000 0.021638 S\n0.333333 0.666667 0.399341 S\n0.666667 0.333333 0.875676 S\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 0.5101071318475348,
"density_atomic": 0.007909762217490297,
"volume": 884.9823556669497,
"volume_molar": 76.1355473706108,
"formula_full": "Ti3 S4",
"formula_reduced": "Ti3S4",
"formula_anonymous": "A3B4",
"energy": -34.30183262,
"energy_per_atom": -4.900261802857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.28983262,
"band_gap": 0.2669000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0004665,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.922000Z",
"spacegroup": 156
},
{
"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-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
}
]
}