HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4509",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4507",
"results": [
{
"id": "jvasp-110967",
"created_at": "2022-09-04T14:38:48.685380Z",
"updated_at": "2022-09-04T14:38:48.685395Z",
"structure_string": "Tl2 Cu2 Sn1 Te4\n1.0\n6.810576 -0.031379 5.122545\n4.048096 5.482164 1.856029\n-0.004087 0.008157 6.978574\nTl Cu Sn Te\n2 2 1 4\ndirect\n0.499067 0.000933 0.000933 Tl\n0.999068 0.500933 0.500933 Tl\n0.515448 0.484553 0.703349 Cu\n0.296652 0.703349 0.484552 Cu\n0.990118 0.009882 0.009883 Sn\n0.930807 0.069193 0.440402 Te\n0.559599 0.440401 0.069193 Te\n0.431526 0.918279 0.568474 Te\n0.081721 0.568475 0.918279 Te\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Tl",
"Cu",
"Sn",
"Te"
],
"chemical_system": "Cu-Sn-Te-Tl",
"density": 7.394096034257985,
"density_atomic": 0.03440046230772456,
"volume": 261.62439095997456,
"volume_molar": 17.505987873447094,
"formula_full": "Tl2 Cu2 Sn1 Te4",
"formula_reduced": "Tl2Cu2SnTe4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 0.2337020962962962,
"spacegroup": 42
},
{
"id": "jvasp-122067",
"created_at": "2022-09-04T14:38:52.674889Z",
"updated_at": "2022-09-04T14:38:52.674917Z",
"structure_string": "Tl8 Cu2 Te2 O12\n1.0\n5.750879 0.055614 1.706718\n0.552734 8.103026 3.394754\n-0.004599 0.031457 9.249604\nTl Cu Te O\n8 2 2 12\ndirect\n0.919960 0.110293 0.797741 Tl\n0.080039 0.889707 0.202259 Tl\n0.873882 0.254073 0.345412 Tl\n0.126118 0.745928 0.654588 Tl\n0.273080 0.390073 0.465863 Tl\n0.726919 0.609927 0.534136 Tl\n0.509285 0.923939 0.763050 Tl\n0.490714 0.076062 0.236950 Tl\n0.776065 0.444511 0.944281 Cu\n0.223935 0.555489 0.055718 Cu\n0.658711 0.668342 0.135487 Te\n0.341288 0.331658 0.864512 Te\n0.631126 0.256300 0.953457 O\n0.270321 0.108234 0.920510 O\n0.729678 0.891766 0.079489 O\n0.536944 0.347283 0.652413 O\n0.463055 0.652717 0.347586 O\n0.837126 0.665973 0.920070 O\n0.162873 0.334028 0.079929 O\n0.937794 0.574612 0.228585 O\n0.062205 0.425388 0.771414 O\n0.402553 0.560158 0.833286 O\n0.597446 0.439842 0.166714 O\n0.368874 0.743700 0.046543 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Tl",
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-O-Te-Tl",
"density": 8.527508743536163,
"density_atomic": 0.0557852727118647,
"volume": 430.2210750848504,
"volume_molar": 10.795216133664576,
"formula_full": "Tl8 Cu2 Te2 O12",
"formula_reduced": "Tl4CuTeO6",
"formula_anonymous": "ABC4D6",
"energy_above_hull": null,
"spacegroup": 2
},
{
"id": "jvasp-107734",
"created_at": "2022-09-04T14:36:32.718029Z",
"updated_at": "2022-09-04T14:36:32.718048Z",
"structure_string": "Tl2 Fe1 Cu3 S4\n1.0\n3.812940 -0.000000 0.000000\n0.000000 3.812940 0.000000\n-0.000000 -0.000000 13.503903\nTl Fe Cu S\n2 1 3 4\ndirect\n0.500000 0.000000 0.736147 Tl\n-0.000000 0.500000 0.263852 Tl\n0.500000 0.500000 -0.000000 Fe\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n-0.000000 0.500000 0.899451 S\n0.500000 0.000000 0.394386 S\n0.500000 0.000000 0.100549 S\n-0.000000 0.500000 0.605614 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tl",
"Fe",
"Cu",
"S"
],
"chemical_system": "Cu-Fe-S-Tl",
"density": 6.626957222211834,
"density_atomic": 0.050935520402621455,
"volume": 196.32664829876438,
"volume_molar": 11.823067109941737,
"formula_full": "Tl2 Fe1 Cu3 S4",
"formula_reduced": "Tl2FeCu3S4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.979106205,
"spacegroup": 115
},
{
"id": "jvasp-104913",
"created_at": "2022-09-04T14:36:49.900127Z",
"updated_at": "2022-09-04T14:36:49.900135Z",
"structure_string": "Tl2 Fe1 Cu3 Se4\n1.0\n3.908324 0.000000 0.000000\n0.000000 3.908324 0.000000\n0.000000 0.000000 14.208146\nTl Fe Cu Se\n2 1 3 4\ndirect\n0.500000 0.000000 0.737149 Tl\n-0.000000 0.500000 0.262852 Tl\n0.500000 0.500000 -0.000000 Fe\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n-0.000000 0.500000 0.893986 Se\n0.500000 0.000000 0.390145 Se\n0.500000 0.000000 0.106014 Se\n-0.000000 0.500000 0.609856 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tl",
"Fe",
"Cu",
"Se"
],
"chemical_system": "Cu-Fe-Se-Tl",
"density": 7.430018074055527,
"density_atomic": 0.04607671084807134,
"volume": 217.02938026485836,
"volume_molar": 13.069814770105431,
"formula_full": "Tl2 Fe1 Cu3 Se4",
"formula_reduced": "Tl2FeCu3Se4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.7463925516666667,
"spacegroup": 115
},
{
"id": "jvasp-101682",
"created_at": "2022-09-04T14:36:40.999687Z",
"updated_at": "2022-09-04T14:36:40.999696Z",
"structure_string": "Tl2 Fe1 Cu3 Te4\n1.0\n8.108590 -0.040981 0.000000\n-6.020346 5.431974 0.000000\n-0.000000 -0.000000 5.771965\nTl Fe Cu Te\n2 1 3 4\ndirect\n0.500000 0.000000 0.249527 Tl\n-0.000001 0.500000 0.750472 Tl\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.356813 0.134941 0.754351 Te\n0.865058 0.643186 0.245648 Te\n0.134941 0.356813 0.245648 Te\n0.643186 0.865058 0.754351 Te\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tl",
"Fe",
"Cu",
"Te"
],
"chemical_system": "Cu-Fe-Te-Tl",
"density": 7.656493603696291,
"density_atomic": 0.03955604001874391,
"volume": 252.80589248219562,
"volume_molar": 15.224326694852078,
"formula_full": "Tl2 Fe1 Cu3 Te4",
"formula_reduced": "Tl2FeCu3Te4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.5306853116666668,
"spacegroup": 21
},
{
"id": "jvasp-104673",
"created_at": "2022-09-04T14:36:46.268371Z",
"updated_at": "2022-09-04T14:36:46.268381Z",
"structure_string": "Tl2 Ga1 Cu3 Se4\n1.0\n7.537253 0.002094 0.000000\n-5.406437 5.251726 0.000000\n-0.000000 -0.000000 5.622636\nTl Ga Cu Se\n2 1 3 4\ndirect\n0.500000 -0.000000 0.247968 Tl\n0.000000 0.500000 0.752032 Tl\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.643479 0.864717 0.754391 Se\n0.135283 0.356521 0.245610 Se\n0.864716 0.643480 0.245610 Se\n0.356519 0.135283 0.754391 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tl",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-Se-Tl",
"density": 7.34669022824204,
"density_atomic": 0.044918028460915325,
"volume": 222.62775866713147,
"volume_molar": 13.40695699776776,
"formula_full": "Tl2 Ga1 Cu3 Se4",
"formula_reduced": "Tl2GaCu3Se4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.2750102341666668,
"spacegroup": 21
},
{
"id": "jvasp-25791",
"created_at": "2022-09-04T14:37:39.003336Z",
"updated_at": "2022-09-04T14:37:39.003370Z",
"structure_string": "Tl3 Ga9 S13 O2\n1.0\n4.831569 -8.368524 0.000000\n4.831569 8.368524 -0.000000\n-0.000000 -0.000000 7.446703\nTl Ga S O\n3 9 13 2\ndirect\n0.333333 0.666667 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.806272 0.560234 0.265536 Ga\n0.072007 0.454335 0.000000 Ga\n0.753962 0.193728 0.734463 Ga\n0.382328 0.927993 0.000000 Ga\n0.753962 0.193728 0.265536 Ga\n0.439766 0.246038 0.734463 Ga\n0.545665 0.617672 0.000000 Ga\n0.439766 0.246038 0.265536 Ga\n0.806272 0.560234 0.734463 Ga\n0.683935 0.707667 0.742329 S\n0.333333 0.666667 0.000000 S\n0.023731 0.316065 0.742329 S\n0.958165 0.618878 0.000000 S\n0.023731 0.316065 0.257671 S\n0.292333 0.976269 0.742329 S\n0.662965 0.022456 0.500000 S\n0.660713 0.041835 0.000000 S\n0.683935 0.707667 0.257671 S\n0.359491 0.337035 0.500000 S\n0.381122 0.339287 0.000000 S\n0.292333 0.976269 0.257671 S\n0.977544 0.640509 0.500000 S\n0.666667 0.333333 0.737069 O\n0.666667 0.333333 0.262930 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Tl",
"Ga",
"S",
"O"
],
"chemical_system": "Ga-O-S-Tl",
"density": 4.658824950916364,
"density_atomic": 0.04483660115017879,
"volume": 602.1865910300459,
"volume_molar": 13.431305240620333,
"formula_full": "Tl3 Ga9 S13 O2",
"formula_reduced": "Tl3Ga9S13O2",
"formula_anonymous": "A2B3C9D13",
"energy_above_hull": 1.0854616935185186,
"spacegroup": 174
},
{
"id": "jvasp-57844",
"created_at": "2022-09-04T14:37:19.523060Z",
"updated_at": "2022-09-04T14:37:19.523084Z",
"structure_string": "Tl4 H4 C4 O8\n1.0\n5.762444 0.000000 0.000000\n0.000000 6.708775 0.000000\n0.000000 0.000000 8.016214\nTl H C O\n4 4 4 8\ndirect\n0.496168 0.500069 0.009087 Tl\n0.996168 -0.000069 0.509086 Tl\n0.003832 0.000069 0.009087 Tl\n0.503831 0.499931 0.509086 Tl\n0.500161 0.912237 0.759255 H\n0.499838 0.087764 0.259255 H\n0.000162 0.587764 0.259255 H\n-0.000162 0.412236 0.759255 H\n0.499956 0.921752 0.259108 C\n0.500043 0.078249 0.759108 C\n-0.000044 0.578249 0.759108 C\n0.000044 0.421751 0.259108 C\n0.837328 0.333518 0.336185 O\n0.337329 0.166483 0.836185 O\n0.662670 0.833518 0.336185 O\n0.162671 0.666483 0.836185 O\n0.162656 0.333573 0.181865 O\n0.337343 0.833573 0.181865 O\n0.837343 0.666428 0.681865 O\n0.662656 0.166427 0.681865 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tl",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Tl",
"density": 5.34549071346449,
"density_atomic": 0.06453729351180076,
"volume": 309.8983380259503,
"volume_molar": 9.331257064411666,
"formula_full": "Tl4 H4 C4 O8",
"formula_reduced": "TlHCO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.53711792,
"spacegroup": 52
},
{
"id": "jvasp-32531",
"created_at": "2022-09-04T14:37:59.080764Z",
"updated_at": "2022-09-04T14:37:59.080784Z",
"structure_string": "Tl4 H4 C4 O8\n1.0\n5.757131 0.000000 0.000000\n-0.000000 6.703634 0.000000\n0.000000 0.000000 8.021751\nTl H C O\n4 4 4 8\ndirect\n0.753492 0.250000 0.500000 Tl\n0.246508 0.750000 0.500000 Tl\n0.746508 0.250000 0.000000 Tl\n0.253492 0.750000 0.000000 Tl\n0.750000 0.838129 0.250000 H\n0.250000 0.161871 0.750000 H\n0.750000 0.661870 0.750000 H\n0.250000 0.338129 0.250000 H\n0.750000 0.671989 0.250000 C\n0.250000 0.328010 0.750000 C\n0.750000 0.828010 0.750000 C\n0.250000 0.171990 0.250000 C\n0.912596 0.583708 0.327338 O\n0.412596 0.416291 0.827338 O\n0.412596 0.083709 0.172662 O\n0.587404 0.916291 0.827338 O\n0.087404 0.083709 0.327338 O\n0.087404 0.416291 0.672661 O\n0.587404 0.583708 0.172662 O\n0.912596 0.916291 0.672661 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tl",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Tl",
"density": 5.35083110229331,
"density_atomic": 0.06460176920912908,
"volume": 309.5890444618618,
"volume_molar": 9.32194401751615,
"formula_full": "Tl4 H4 C4 O8",
"formula_reduced": "TlHCO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.53713192,
"spacegroup": 52
},
{
"id": "jvasp-55731",
"created_at": "2022-09-04T14:38:35.997675Z",
"updated_at": "2022-09-04T14:38:35.997700Z",
"structure_string": "Tl2 H8 N2 Cl8\n1.0\n6.462371 0.000000 -2.637082\n-1.076106 6.372145 -2.637081\n0.013103 0.015501 9.268920\nTl H N Cl\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.249999 0.749999 0.500000 Tl\n0.698988 0.371813 0.575328 H\n0.453515 0.448989 0.075328 H\n0.621813 0.626339 0.075328 H\n0.373660 0.546484 0.924672 H\n0.551010 0.378186 0.924672 H\n0.796484 0.301011 0.424672 H\n0.628186 0.123661 0.424672 H\n0.876339 0.203515 0.575328 H\n0.500000 0.500000 -0.000000 N\n0.749999 0.250000 0.500000 N\n0.501407 0.596866 0.681610 Cl\n0.748592 0.153133 0.818389 Cl\n0.069796 0.665256 0.818389 Cl\n0.915256 0.498592 0.318389 Cl\n0.846866 0.930202 0.181610 Cl\n0.334743 0.251407 0.181611 Cl\n0.180203 0.084743 0.681611 Cl\n0.403133 0.819796 0.318389 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tl",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-N-Tl",
"density": 3.1648408848834446,
"density_atomic": 0.05232660832526201,
"volume": 382.21472096337817,
"volume_molar": 11.508754250927932,
"formula_full": "Tl2 H8 N2 Cl8",
"formula_reduced": "TlH4NCl4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 1.759445212,
"spacegroup": 88
},
{
"id": "jvasp-89763",
"created_at": "2022-09-04T14:35:40.900985Z",
"updated_at": "2022-09-04T14:35:40.901006Z",
"structure_string": "Tl2 H12 N6 O24\n1.0\n5.995813 3.461684 3.454446\n-5.995813 3.461684 3.454446\n-0.000000 -6.923369 3.454446\nTl H N O\n2 12 6 24\ndirect\n0.754858 0.754858 0.754859 Tl\n0.245143 0.245143 0.245143 Tl\n0.638800 0.325737 0.373989 H\n0.373988 0.638800 0.325738 H\n0.325737 0.373988 0.638801 H\n0.361201 0.674264 0.626014 H\n0.626013 0.361201 0.674265 H\n0.674264 0.626013 0.361202 H\n0.155830 0.590519 0.302974 H\n0.302973 0.155830 0.590520 H\n0.409482 0.697027 0.844172 H\n0.844171 0.409482 0.697028 H\n0.697027 0.844171 0.409482 H\n0.590519 0.302973 0.155831 H\n0.337738 0.894398 0.132446 N\n0.894398 0.132445 0.337739 N\n0.132445 0.337738 0.894399 N\n0.662262 0.105602 0.867556 N\n0.867556 0.662263 0.105603 N\n0.105602 0.867555 0.662263 N\n0.700211 0.651577 0.063551 O\n0.352448 0.271803 0.557765 O\n0.442237 0.647552 0.728199 O\n0.728198 0.442237 0.647553 O\n0.647552 0.728198 0.442238 O\n0.936451 0.299790 0.348424 O\n0.348424 0.936451 0.299791 O\n0.299790 0.348424 0.936452 O\n0.063550 0.700211 0.651578 O\n0.651577 0.063550 0.700212 O\n0.005634 0.035142 0.292749 O\n0.632048 0.250775 0.944374 O\n0.035142 0.292748 0.005634 O\n0.994367 0.964859 0.707254 O\n0.707252 0.994367 0.964860 O\n0.964859 0.707252 0.994368 O\n0.749226 0.055628 0.367953 O\n0.367953 0.749226 0.055629 O\n0.055628 0.367953 0.749226 O\n0.250775 0.944373 0.632049 O\n0.271803 0.557764 0.352449 O\n0.944373 0.632048 0.250776 O\n0.292748 0.005634 0.035142 O\n0.557764 0.352448 0.271804 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Tl",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-Tl",
"density": 3.4310795222071966,
"density_atomic": 0.1022792361504588,
"volume": 430.19484360709737,
"volume_molar": 5.887940687336651,
"formula_full": "Tl2 H12 N6 O24",
"formula_reduced": "TlH6(NO4)3",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 3.3889851977272727,
"spacegroup": 148
},
{
"id": "jvasp-86225",
"created_at": "2022-09-04T14:36:04.860841Z",
"updated_at": "2022-09-04T14:36:04.860874Z",
"structure_string": "Tl2 Hg1 Ge1 Te4\n1.0\n6.754310 0.006613 -1.848122\n-3.932149 5.491717 -1.848122\n-0.003395 -0.006613 7.002589\nTl Hg Ge Te\n2 1 1 4\ndirect\n0.000001 0.500001 0.500001 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Ge\n0.953044 0.599299 0.000000 Te\n0.400701 0.400701 0.353747 Te\n0.046956 0.046956 0.646254 Te\n0.599299 0.953045 0.000001 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Tl",
"Hg",
"Ge",
"Te"
],
"chemical_system": "Ge-Hg-Te-Tl",
"density": 7.622431190597847,
"density_atomic": 0.030797373007643826,
"volume": 259.7624153857026,
"volume_molar": 19.554072870128632,
"formula_full": "Tl2 Hg1 Ge1 Te4",
"formula_reduced": "Tl2HgGeTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.1966058520833333,
"spacegroup": 121
}
]
}