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=-chemical_system&page=99",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=97",
"results": [
{
"id": "jvasp-91802",
"created_at": "2022-09-04T14:36:21.912757Z",
"updated_at": "2022-09-04T14:36:21.912775Z",
"structure_string": "Tl4 Se4\n1.0\n-4.047518 4.047518 -3.563147\n4.047518 -4.047518 -3.563147\n-4.047518 -4.047518 3.563147\nTl Se\n4 4\ndirect\n0.750001 0.750001 0.000000 Tl\n0.250000 0.250000 0.000000 Tl\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Tl\n0.818079 0.318079 0.136158 Se\n0.181922 0.681922 0.863843 Se\n0.681922 0.818079 0.500000 Se\n0.318078 0.181922 0.500000 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Se"
],
"chemical_system": "Se-Tl",
"density": 8.060291116971355,
"density_atomic": 0.03426247078350085,
"volume": 233.49162559089032,
"volume_molar": 17.576492944869493,
"formula_full": "Tl4 Se4",
"formula_reduced": "TlSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.1093679833333333,
"spacegroup": 140
},
{
"id": "jvasp-7846",
"created_at": "2022-09-04T14:36:32.435109Z",
"updated_at": "2022-09-04T14:36:32.435134Z",
"structure_string": "Tl4 Se4\n1.0\n6.477137 0.023282 -1.871485\n-3.657224 5.345891 -1.871485\n-0.012228 -0.023282 6.742078\nTl Se\n4 4\ndirect\n0.250000 0.250000 0.000000 Tl\n0.750001 0.750000 0.000001 Tl\n0.750000 0.250000 0.500001 Tl\n0.250000 0.750000 0.500001 Tl\n0.681941 0.181941 0.863882 Se\n0.181941 0.318059 0.500001 Se\n0.818060 0.681941 0.500001 Se\n0.318060 0.818059 0.136120 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Se"
],
"chemical_system": "Se-Tl",
"density": 8.061301991452762,
"density_atomic": 0.03426676778182044,
"volume": 233.46234611144865,
"volume_molar": 17.57428888053728,
"formula_full": "Tl4 Se4",
"formula_reduced": "TlSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.1093729833333333,
"spacegroup": 140
},
{
"id": "jvasp-16288",
"created_at": "2022-09-04T14:37:44.129670Z",
"updated_at": "2022-09-04T14:37:44.129685Z",
"structure_string": "Tl1 Se1\n1.0\n3.751942 0.000000 0.000000\n0.000000 3.751942 0.000000\n0.000000 0.000000 3.751942\nTl Se\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Se"
],
"chemical_system": "Se-Tl",
"density": 8.90827666926258,
"density_atomic": 0.03786706518196298,
"volume": 52.81634556016899,
"volume_molar": 15.903373369606934,
"formula_full": "Tl1 Se1",
"formula_reduced": "TlSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.1877179833333333,
"spacegroup": 221
},
{
"id": "jvasp-97892",
"created_at": "2022-09-04T14:35:49.085591Z",
"updated_at": "2022-09-04T14:35:49.085620Z",
"structure_string": "Tl20 Se12\n1.0\n8.553487 0.000000 -0.000000\n-0.000000 8.553487 -0.000000\n-0.000000 -0.000000 12.875290\nTl Se\n20 12\ndirect\n0.419634 0.878935 0.097310 Tl\n0.750000 0.750000 0.281763 Tl\n0.621066 0.419634 0.097310 Tl\n0.080367 0.621066 0.097310 Tl\n0.919634 0.378935 0.902690 Tl\n0.750000 0.750000 0.781804 Tl\n0.580367 0.121065 0.902690 Tl\n0.378948 0.919656 0.402682 Tl\n0.250000 0.250000 0.718237 Tl\n0.250000 0.250000 0.218196 Tl\n0.080344 0.878949 0.597318 Tl\n0.621052 0.080344 0.597318 Tl\n0.580345 0.378948 0.402682 Tl\n0.878949 0.419656 0.597318 Tl\n0.121065 0.919634 0.902690 Tl\n0.919656 0.121052 0.402682 Tl\n0.419656 0.621052 0.597318 Tl\n0.378935 0.580367 0.902690 Tl\n0.121052 0.580345 0.402682 Tl\n0.878935 0.080367 0.097310 Tl\n0.590176 0.409854 0.749997 Se\n0.090176 0.909854 0.250003 Se\n0.250000 0.250000 0.982338 Se\n0.250000 0.250000 0.482332 Se\n0.590147 0.090176 0.250003 Se\n0.750000 0.750000 0.517668 Se\n0.409854 0.909825 0.749997 Se\n0.750000 0.750000 0.017662 Se\n0.090146 0.590176 0.749997 Se\n0.909825 0.090146 0.749997 Se\n0.409825 0.590146 0.250003 Se\n0.909854 0.409825 0.250003 Se\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Tl",
"Se"
],
"chemical_system": "Se-Tl",
"density": 8.87607976615886,
"density_atomic": 0.033970861385311295,
"volume": 941.98376770736,
"volume_molar": 17.727371383652702,
"formula_full": "Tl20 Se12",
"formula_reduced": "Tl5Se3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.0933816375,
"spacegroup": 130
},
{
"id": "jvasp-12139",
"created_at": "2022-09-04T14:36:47.178148Z",
"updated_at": "2022-09-04T14:36:47.178166Z",
"structure_string": "Zr1 Ti1 Se4\n1.0\n3.678832 0.000000 0.000000\n0.000000 6.107871 -0.005775\n0.000000 -0.004939 6.378346\nZr Ti Se\n1 1 4\ndirect\n0.500000 -0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.000000 0.259643 0.321730 Se\n0.500000 0.749100 0.154459 Se\n0.500000 0.250900 0.845541 Se\n0.000000 0.740357 0.678270 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Se"
],
"chemical_system": "Se-Ti-Zr",
"density": 5.270927724795178,
"density_atomic": 0.0418642854043438,
"volume": 143.32025357770576,
"volume_molar": 14.384912346730626,
"formula_full": "Zr1 Ti1 Se4",
"formula_reduced": "ZrTiSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3231760500000007,
"spacegroup": 10
},
{
"id": "jvasp-102659",
"created_at": "2022-09-04T14:36:46.440377Z",
"updated_at": "2022-09-04T14:36:46.440393Z",
"structure_string": "Ti1 V1 Se4\n1.0\n3.469525 0.000000 0.000000\n0.000000 6.021638 0.018710\n-0.000000 -0.003245 6.104951\nTi V Se\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 -0.000000 V\n-0.000000 0.662476 0.747011 Se\n0.500001 0.170388 0.743393 Se\n0.500001 0.829613 0.256607 Se\n-0.000000 0.337525 0.252989 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"V",
"Se"
],
"chemical_system": "Se-Ti-V",
"density": 5.398357371137542,
"density_atomic": 0.04704177341484437,
"volume": 127.54621189741663,
"volume_molar": 12.801687357517158,
"formula_full": "Ti1 V1 Se4",
"formula_reduced": "TiVSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.385862666666667,
"spacegroup": 10
},
{
"id": "jvasp-107279",
"created_at": "2022-09-04T14:36:48.481636Z",
"updated_at": "2022-09-04T14:36:48.481656Z",
"structure_string": "Ti2 V1 Se4\n1.0\n6.238595 -0.028003 3.101603\n5.247458 3.374172 3.101603\n0.008596 0.002504 6.408990\nTi V Se\n2 1 4\ndirect\n-0.000396 -0.000399 0.999796 Ti\n0.252321 0.252319 0.700562 Ti\n0.747516 0.747516 0.299738 V\n0.111273 0.111271 0.545822 Se\n0.890095 0.890095 0.448614 Se\n0.363830 0.363827 0.971100 Se\n0.635366 0.635366 0.034365 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"V",
"Se"
],
"chemical_system": "Se-Ti-V",
"density": 5.657509998007311,
"density_atomic": 0.05156416401097244,
"volume": 135.75319476740583,
"volume_molar": 11.678926392985906,
"formula_full": "Ti2 V1 Se4",
"formula_reduced": "Ti2VSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7132920476190474,
"spacegroup": 8
},
{
"id": "jvasp-35402",
"created_at": "2022-09-04T14:37:29.988077Z",
"updated_at": "2022-09-04T14:37:29.988097Z",
"structure_string": "Ti2 V1 Se4\n1.0\n0.000000 3.556653 0.000000\n0.007827 0.000000 6.358451\n6.019676 -1.778327 -3.085447\nTi V Se\n2 1 4\ndirect\n0.253228 0.287515 0.506456 Ti\n0.746771 0.712485 0.493545 Ti\n0.000000 0.000000 0.000000 V\n0.112462 0.448489 0.224926 Se\n0.887537 0.551511 0.775076 Se\n0.369194 0.034347 0.738391 Se\n0.630805 0.965653 0.261610 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"V",
"Se"
],
"chemical_system": "Se-Ti-V",
"density": 5.6381356395911,
"density_atomic": 0.05138758056784416,
"volume": 136.21968426317113,
"volume_molar": 11.719058755936762,
"formula_full": "Ti2 V1 Se4",
"formula_reduced": "Ti2VSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7117091904761903,
"spacegroup": 12
},
{
"id": "jvasp-87039",
"created_at": "2022-09-04T14:35:42.820666Z",
"updated_at": "2022-09-04T14:35:42.820698Z",
"structure_string": "Ti5 Tl1 Se8\n1.0\n3.518450 0.000000 -0.671603\n-0.419659 8.902946 -2.198543\n0.005971 -0.008909 9.583449\nTi Tl Se\n5 1 8\ndirect\n0.500000 0.500000 0.000000 Ti\n0.153273 0.496029 0.306547 Ti\n0.208631 0.849783 0.417263 Ti\n0.791368 0.150217 0.582738 Ti\n0.846726 0.503972 0.693454 Ti\n0.000000 0.000000 0.000000 Tl\n0.926754 0.322846 0.853508 Se\n0.339408 -0.000279 0.678817 Se\n0.660591 0.000279 0.321183 Se\n0.741867 0.662485 0.483737 Se\n0.258132 0.337516 0.516264 Se\n0.413698 0.681795 0.827398 Se\n0.586301 0.318206 0.172603 Se\n0.073247 0.677154 0.146493 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Tl",
"Se"
],
"chemical_system": "Se-Ti-Tl",
"density": 5.949263011784148,
"density_atomic": 0.04664152714640665,
"volume": 300.16169830919836,
"volume_molar": 12.911542842704618,
"formula_full": "Ti5 Tl1 Se8",
"formula_reduced": "Ti5TlSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 2.533424371428571,
"spacegroup": 12
},
{
"id": "jvasp-29327",
"created_at": "2022-09-04T14:37:04.259622Z",
"updated_at": "2022-09-04T14:37:04.259649Z",
"structure_string": "Ti4 Tl16 Se16\n1.0\n8.503971 0.000000 0.000000\n0.000000 8.374029 -2.029812\n0.000000 -0.041417 15.833034\nTi Tl Se\n4 16 16\ndirect\n0.388127 0.207825 0.877340 Ti\n0.611873 0.792175 0.122660 Ti\n0.111873 0.207825 0.377340 Ti\n0.888126 0.792175 0.622660 Ti\n-0.001980 0.968599 0.873941 Tl\n0.498020 0.031400 0.626058 Tl\n0.001980 0.031400 0.126059 Tl\n0.501979 0.968600 0.373941 Tl\n0.177354 0.598329 0.889408 Tl\n0.677354 0.401670 0.610592 Tl\n0.707904 0.390352 0.360361 Tl\n0.322646 0.598329 0.389408 Tl\n0.606171 0.807768 0.870852 Tl\n0.106171 0.192232 0.629148 Tl\n0.393829 0.192232 0.129148 Tl\n0.893829 0.807768 0.370852 Tl\n0.792096 0.390352 0.860360 Tl\n0.292096 0.609648 0.639639 Tl\n0.207904 0.609648 0.139639 Tl\n0.822646 0.401671 0.110592 Tl\n0.324960 0.950518 0.784791 Se\n0.824960 0.049481 0.715209 Se\n0.553469 0.605024 0.208863 Se\n0.053469 0.394976 0.291137 Se\n0.446531 0.394975 0.791137 Se\n0.946531 0.605024 0.708863 Se\n0.836895 0.703636 0.033278 Se\n0.385055 0.823495 0.036875 Se\n0.163105 0.296364 0.966722 Se\n0.663105 0.703636 0.533277 Se\n0.885055 0.176505 0.463125 Se\n0.614945 0.176505 0.963125 Se\n0.114945 0.823495 0.536875 Se\n0.175040 0.950518 0.284791 Se\n0.336895 0.296364 0.466722 Se\n0.675040 0.049482 0.215209 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ti",
"Tl",
"Se"
],
"chemical_system": "Se-Ti-Tl",
"density": 6.963096137648485,
"density_atomic": 0.03194902321538017,
"volume": 1126.795012082551,
"volume_molar": 18.849217140075066,
"formula_full": "Ti4 Tl16 Se16",
"formula_reduced": "Ti(TlSe)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 0.8210124666666665,
"spacegroup": 14
},
{
"id": "jvasp-96848",
"created_at": "2022-09-04T14:35:52.958687Z",
"updated_at": "2022-09-04T14:35:52.958716Z",
"structure_string": "Ti24 Se12\n1.0\n3.459233 0.000000 0.000000\n0.000000 11.757221 0.000000\n0.000000 -0.000000 14.517035\nTi Se\n24 12\ndirect\n0.500000 0.357168 0.521037 Ti\n0.500000 0.685569 0.704603 Ti\n0.000000 0.907124 0.738714 Ti\n0.500000 0.407124 0.761287 Ti\n0.500000 0.314431 0.295397 Ti\n0.000000 0.142832 0.021036 Ti\n0.000000 0.112802 0.573660 Ti\n0.500000 0.592875 0.238713 Ti\n0.000000 0.414033 0.924625 Ti\n0.500000 0.028468 0.892199 Ti\n0.000000 0.528468 0.607801 Ti\n0.000000 0.857168 0.978964 Ti\n0.000000 0.585967 0.075375 Ti\n0.000000 0.814431 0.204603 Ti\n0.000000 0.092876 0.261287 Ti\n0.000000 0.185569 0.795397 Ti\n0.500000 0.387198 0.073660 Ti\n0.000000 0.471532 0.392199 Ti\n0.500000 0.642832 0.478964 Ti\n0.500000 0.612802 0.926340 Ti\n0.500000 0.971531 0.107801 Ti\n0.500000 0.914033 0.575375 Ti\n0.000000 0.887198 0.426340 Ti\n0.500000 0.085967 0.424625 Ti\n0.500000 0.811891 0.849470 Se\n0.500000 0.065824 0.705871 Se\n0.000000 0.245425 0.414180 Se\n0.000000 0.434176 0.205871 Se\n0.000000 0.688109 0.349470 Se\n0.000000 0.311891 0.650531 Se\n0.500000 0.934176 0.294129 Se\n0.000000 0.565824 0.794129 Se\n0.500000 0.188109 0.150530 Se\n0.000000 0.754575 0.585820 Se\n0.500000 0.745425 0.085820 Se\n0.500000 0.254575 0.914180 Se\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 5.895843019728197,
"density_atomic": 0.06097335325071835,
"volume": 590.4218495573043,
"volume_molar": 9.876676349482306,
"formula_full": "Ti24 Se12",
"formula_reduced": "Ti2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 2.398750011111112,
"spacegroup": 58
},
{
"id": "jvasp-326",
"created_at": "2022-09-04T14:37:10.840779Z",
"updated_at": "2022-09-04T14:37:10.840790Z",
"structure_string": "Ti1 Se2\n1.0\n1.773843 -3.072387 0.000000\n1.773843 3.072387 0.000000\n0.000000 0.000000 6.069541\nTi Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.253579 Se\n0.666666 0.333332 0.746421 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 5.165235069540225,
"density_atomic": 0.04534655637821016,
"volume": 66.1571735454107,
"volume_molar": 13.280260379140383,
"formula_full": "Ti1 Se2",
"formula_reduced": "TiSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5677850222222225,
"spacegroup": 164
}
]
}