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=31",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=29",
"results": [
{
"id": "mp-2048",
"created_at": "2022-09-04T14:42:38.612085Z",
"structure_string": "Tl32 Te32\n1.0\n18.603483 0.000000 0.000000\n0.000000 18.603483 0.000000\n0.000000 0.000000 6.290211\nTl Te\n32 32\ndirect\n0.824157 0.096491 0.752793 Tl\n0.096152 0.675525 0.753781 Tl\n0.175525 0.403848 0.253781 Tl\n0.824475 0.596152 0.253781 Tl\n0.324475 0.903848 0.246219 Tl\n0.403848 0.175525 0.746219 Tl\n0.596152 0.824475 0.746219 Tl\n0.675525 0.096152 0.246219 Tl\n0.596152 0.175525 0.746219 Tl\n0.403848 0.824475 0.746219 Tl\n0.324475 0.096152 0.246219 Tl\n0.675525 0.903848 0.246219 Tl\n0.175525 0.596152 0.253781 Tl\n0.096152 0.324475 0.753781 Tl\n0.903848 0.675525 0.753781 Tl\n0.824475 0.403848 0.253781 Tl\n0.903848 0.324475 0.753781 Tl\n0.175843 0.903509 0.752793 Tl\n0.403509 0.324157 0.252793 Tl\n0.596491 0.675843 0.252793 Tl\n0.096491 0.824157 0.247207 Tl\n0.324157 0.403509 0.747207 Tl\n0.675843 0.596491 0.747207 Tl\n0.903509 0.175843 0.247207 Tl\n0.675843 0.403509 0.747207 Tl\n0.324157 0.596491 0.747207 Tl\n0.096491 0.175843 0.247207 Tl\n0.903509 0.824157 0.247207 Tl\n0.403509 0.675843 0.252793 Tl\n0.175843 0.096491 0.752793 Tl\n0.824157 0.903509 0.752793 Tl\n0.596491 0.324157 0.252793 Tl\n0.751257 0.248743 0.500000 Te\n0.748743 0.748743 0.000000 Te\n0.251257 0.251257 0.000000 Te\n0.248743 0.751257 0.500000 Te\n0.748743 0.251257 0.000000 Te\n0.751257 0.751257 0.500000 Te\n0.248743 0.248743 0.500000 Te\n0.251257 0.748743 0.000000 Te\n0.000000 0.000000 0.239013 Te\n0.500000 0.500000 0.739013 Te\n0.500000 0.500000 0.260987 Te\n0.000000 0.000000 0.760987 Te\n0.500000 0.000000 0.248391 Te\n0.500000 0.000000 0.748391 Te\n0.000000 0.500000 0.251609 Te\n0.163373 0.500000 0.752346 Te\n0.500000 0.336803 0.765049 Te\n0.500000 0.663197 0.765049 Te\n0.163197 0.000000 0.265049 Te\n0.836803 0.000000 0.265049 Te\n0.336803 0.500000 0.234951 Te\n0.000000 0.163197 0.734951 Te\n0.000000 0.836803 0.734951 Te\n0.663197 0.500000 0.234951 Te\n0.500000 0.836627 0.247654 Te\n0.500000 0.163373 0.247654 Te\n0.663373 0.000000 0.747654 Te\n0.336627 0.000000 0.747654 Te\n0.836627 0.500000 0.752346 Te\n0.000000 0.663373 0.252346 Te\n0.000000 0.336627 0.252346 Te\n0.000000 0.500000 0.751609 Te\n",
"nsites": 64,
"nelements": 2,
"elements": [
"Tl",
"Te"
],
"chemical_system": "Te-Tl",
"density": 8.103293628623124,
"density_atomic": 0.02939857207759762,
"volume": 2176.9764814111313,
"volume_molar": 20.484466878542744,
"formula_full": "Tl32 Te32",
"formula_reduced": "TlTe",
"formula_anonymous": "AB",
"energy": -206.52653438,
"energy_per_atom": -3.2269770996875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.02253438,
"band_gap": 0.1245000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.168395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.359000Z",
"spacegroup": 137
},
{
"id": "mp-16223",
"created_at": "2022-09-04T14:44:00.154038Z",
"structure_string": "Tl8 Te8\n1.0\n-6.595027 6.595027 3.111496\n6.595027 -6.595027 3.111496\n6.595027 6.595027 -3.111496\nTl Te\n8 8\ndirect\n0.275975 0.417156 0.693130 Tl\n0.724025 0.582845 0.306870 Tl\n0.582844 0.275975 0.858819 Tl\n0.417156 0.724025 0.141181 Tl\n0.775975 0.082844 0.858819 Tl\n0.917156 0.775975 0.693130 Tl\n0.082844 0.224025 0.306870 Tl\n0.224025 0.917156 0.141181 Tl\n0.750000 0.750000 0.000000 Te\n0.250000 0.250000 0.000000 Te\n0.250000 0.750000 0.500000 Te\n0.750000 0.250000 0.500000 Te\n0.337975 0.162025 0.500000 Te\n0.837975 0.337975 0.175951 Te\n0.162025 0.662025 0.824049 Te\n0.662025 0.837975 0.500000 Te\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tl",
"Te"
],
"chemical_system": "Te-Tl",
"density": 8.146910175176934,
"density_atomic": 0.02955681195466548,
"volume": 541.330371642955,
"volume_molar": 20.374798098106172,
"formula_full": "Tl8 Te8",
"formula_reduced": "TlTe",
"formula_anonymous": "AB",
"energy": -49.23804599,
"energy_per_atom": -3.077377874375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.86204599,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2119033,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.131000Z",
"spacegroup": 140
},
{
"id": "mp-2081",
"created_at": "2022-09-04T14:42:13.131293Z",
"structure_string": "Tl8 Te8\n1.0\n-6.572513 6.572513 3.158773\n6.572513 -6.572513 3.158773\n6.572513 6.572513 -3.158773\nTl Te\n8 8\ndirect\n0.420639 0.728092 0.148731 Tl\n0.579361 0.271908 0.851269 Tl\n0.271908 0.420639 0.692547 Tl\n0.728092 0.579361 0.307453 Tl\n0.079361 0.228092 0.307453 Tl\n0.771908 0.079361 0.851269 Tl\n0.228092 0.920639 0.148731 Tl\n0.920639 0.771908 0.692547 Tl\n0.750000 0.750000 0.000000 Te\n0.250000 0.250000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n0.162677 0.662677 0.825354 Te\n0.337323 0.162677 0.500000 Te\n0.662677 0.837323 0.500000 Te\n0.837323 0.337323 0.174646 Te\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tl",
"Te"
],
"chemical_system": "Te-Tl",
"density": 8.080049214376297,
"density_atomic": 0.029314241851031094,
"volume": 545.8097835621568,
"volume_molar": 20.54339590497776,
"formula_full": "Tl8 Te8",
"formula_reduced": "TlTe",
"formula_anonymous": "AB",
"energy": -51.02027031,
"energy_per_atom": -3.188766894375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.64427031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.65e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.483000Z",
"spacegroup": 140
},
{
"id": "mp-1796",
"created_at": "2022-09-04T14:48:06.397559Z",
"structure_string": "Tl10 Te6\n1.0\n-4.627294 4.627294 6.691141\n4.627294 -4.627294 6.691141\n4.627294 4.627294 -6.691141\nTl Te\n10 6\ndirect\n0.445306 0.015833 0.186060 Tl\n0.984167 0.170227 0.429473 Tl\n0.740754 0.554694 0.570527 Tl\n0.829773 0.259246 0.813940 Tl\n0.552459 0.978425 0.801719 Tl\n0.021575 0.823293 0.574033 Tl\n0.249260 0.447541 0.425967 Tl\n0.176707 0.750740 0.198281 Tl\n0.258242 0.258242 0.000000 Tl\n0.741758 0.741758 0.000000 Tl\n0.808412 0.389059 0.208527 Te\n0.610941 0.819468 0.419353 Te\n0.400115 0.191588 0.580647 Te\n0.180532 0.599885 0.791473 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tl",
"Te"
],
"chemical_system": "Te-Tl",
"density": 8.140543781441947,
"density_atomic": 0.027919370510264562,
"volume": 573.0788233251031,
"volume_molar": 21.569758378993388,
"formula_full": "Tl10 Te6",
"formula_reduced": "Tl5Te3",
"formula_anonymous": "A3B5",
"energy": -47.38648101,
"energy_per_atom": -2.961655063125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.85448101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.760000Z",
"spacegroup": 82
},
{
"id": "mp-8677",
"created_at": "2022-09-04T14:46:55.947627Z",
"structure_string": "Zr1 Ti1 Te4\n1.0\n3.882232 0.000000 0.000000\n0.000000 6.702668 0.000000\n0.000000 0.015423 6.942830\nZr Ti Te\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Ti\n0.500000 0.844051 0.250380 Te\n0.500000 0.155949 0.749620 Te\n0.000000 0.322715 0.259440 Te\n0.000000 0.677285 0.740560 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Te"
],
"chemical_system": "Te-Ti-Zr",
"density": 5.969755031620622,
"density_atomic": 0.0332112732421802,
"volume": 180.66154694664522,
"volume_molar": 18.132821093867427,
"formula_full": "Zr1 Ti1 Te4",
"formula_reduced": "ZrTiTe4",
"formula_anonymous": "ABC4",
"energy": -35.366954140000004,
"energy_per_atom": -5.894492356666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.67895414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.03e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.938000Z",
"spacegroup": 10
},
{
"id": "mp-1217132",
"created_at": "2022-09-04T14:40:05.272822Z",
"structure_string": "Ti2 V1 Te4\n1.0\n1.940606 7.137393 0.000000\n-1.940606 7.137393 0.000000\n0.000000 3.344406 6.137771\nTi V Te\n2 1 4\ndirect\n0.001997 0.001997 0.996943 Ti\n0.249379 0.249379 0.706365 Ti\n0.749141 0.749141 0.294824 V\n0.109789 0.109789 0.545453 Te\n0.891286 0.891286 0.448521 Te\n0.362548 0.362548 0.970670 Te\n0.635859 0.635859 0.037224 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"V",
"Te"
],
"chemical_system": "Te-Ti-V",
"density": 6.417216843193237,
"density_atomic": 0.041169954124534065,
"volume": 170.0269079442221,
"volume_molar": 14.627513894680968,
"formula_full": "Ti2 V1 Te4",
"formula_reduced": "Ti2VTe4",
"formula_anonymous": "AB2C4",
"energy": -43.2011912,
"energy_per_atom": -6.171598742857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.5131912,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5858264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.402000Z",
"spacegroup": 8
},
{
"id": "mp-1025219",
"created_at": "2022-09-04T14:47:38.763305Z",
"structure_string": "Ti2 V1 Te4\n1.0\n1.928401 7.200180 0.000000\n-1.928401 7.200180 0.000000\n0.000000 3.236923 6.141573\nTi V Te\n2 1 4\ndirect\n0.748450 0.748450 0.295345 Ti\n0.251550 0.251550 0.704655 Ti\n0.000000 0.000000 0.000000 V\n0.892576 0.892576 0.446491 Te\n0.107424 0.107424 0.553509 Te\n0.633780 0.633780 0.032699 Te\n0.366220 0.366220 0.967301 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"V",
"Te"
],
"chemical_system": "Te-Ti-V",
"density": 6.397555409165331,
"density_atomic": 0.04104381527700392,
"volume": 170.5494470423165,
"volume_molar": 14.672468237557082,
"formula_full": "Ti2 V1 Te4",
"formula_reduced": "Ti2VTe4",
"formula_anonymous": "AB2C4",
"energy": -43.354376290000005,
"energy_per_atom": -6.193482327142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.66637629,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0927966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.503000Z",
"spacegroup": 12
},
{
"id": "mp-1025282",
"created_at": "2022-09-04T14:47:27.621971Z",
"structure_string": "Ti1 V2 Te4\n1.0\n2.007386 6.947196 0.000000\n-2.007386 6.947196 0.000000\n0.000000 3.532554 6.077760\nTi V Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.243997 0.243997 0.785388 V\n0.756003 0.756003 0.214612 V\n0.115825 0.115825 0.228765 Te\n0.884175 0.884175 0.771235 Te\n0.366140 0.366140 0.305731 Te\n0.633860 0.633860 0.694269 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"V",
"Te"
],
"chemical_system": "Te-Ti-V",
"density": 6.466625942200444,
"density_atomic": 0.04129372441984334,
"volume": 169.51728376034328,
"volume_molar": 14.583670629394991,
"formula_full": "Ti1 V2 Te4",
"formula_reduced": "Ti(VTe2)2",
"formula_anonymous": "AB2C4",
"energy": -43.39021181,
"energy_per_atom": -6.198601687142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.70221181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0065075,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.964000Z",
"spacegroup": 12
},
{
"id": "mp-1217180",
"created_at": "2022-09-04T14:44:17.361540Z",
"structure_string": "Ti4 Te6\n1.0\n6.625711 -3.391029 0.000000\n6.625711 3.391029 0.000000\n4.890188 0.000000 5.611166\nTi Te\n4 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.159779 0.159779 0.159779 Ti\n0.840221 0.840221 0.840221 Ti\n0.000000 0.000000 0.000000 Ti\n0.923245 0.574295 0.264345 Te\n0.264345 0.923245 0.574295 Te\n0.574295 0.264345 0.923245 Te\n0.425705 0.735655 0.076755 Te\n0.735655 0.076755 0.425705 Te\n0.076755 0.425705 0.735655 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.302963434426956,
"density_atomic": 0.039660016864391454,
"volume": 252.14311013010308,
"volume_molar": 15.184413008676627,
"formula_full": "Ti4 Te6",
"formula_reduced": "Ti2Te3",
"formula_anonymous": "A2B3",
"energy": -60.20207453,
"energy_per_atom": -6.020207452999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.67007453,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0165421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.193000Z",
"spacegroup": 148
},
{
"id": "mp-567832",
"created_at": "2022-09-04T14:48:07.722163Z",
"structure_string": "Ti2 Te2\n1.0\n1.835455 -3.179102 0.000000\n1.835455 3.179102 0.000000\n0.000000 0.000000 7.302053\nTi Te\n2 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.838350612027851,
"density_atomic": 0.04693932188513546,
"volume": 85.21639937168975,
"volume_molar": 12.82962880191728,
"formula_full": "Ti2 Te2",
"formula_reduced": "TiTe",
"formula_anonymous": "AB",
"energy": -25.35008866,
"energy_per_atom": -6.337522165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.50608866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0123643,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.408000Z",
"spacegroup": 194
},
{
"id": "mp-599",
"created_at": "2022-09-04T14:45:09.491225Z",
"structure_string": "Ti2 Te2\n1.0\n1.812786 -3.139837 0.000000\n1.812786 3.139837 0.000000\n0.000000 0.000000 7.661766\nTi Te\n2 2\ndirect\n0.666667 0.333333 0.750000 Ti\n0.333333 0.666667 0.250000 Ti\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.6813161592932815,
"density_atomic": 0.04586141711801235,
"volume": 87.21928477933962,
"volume_molar": 13.131170248192719,
"formula_full": "Ti2 Te2",
"formula_reduced": "TiTe",
"formula_anonymous": "AB",
"energy": -24.38410877,
"energy_per_atom": -6.0960271925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.54010877,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.802000Z",
"spacegroup": 194
},
{
"id": "mp-1907",
"created_at": "2022-09-04T14:40:42.691230Z",
"structure_string": "Ti1 Te2\n1.0\n1.889730 -3.273109 0.000000\n1.889730 3.273109 0.000000\n0.000000 0.000000 6.816936\nTi Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.747166 Te\n0.333333 0.666667 0.252834 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 5.967718226177564,
"density_atomic": 0.03557474669278909,
"volume": 84.32948309954074,
"volume_molar": 16.928133914782514,
"formula_full": "Ti1 Te2",
"formula_reduced": "TiTe2",
"formula_anonymous": "AB2",
"energy": -17.116530710000003,
"energy_per_atom": -5.705510236666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.27253071,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.39e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.203000Z",
"spacegroup": 164
}
]
}