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=-formula_reduced&page=544",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=542",
"results": [
{
"id": "jvasp-13139",
"created_at": "2022-09-04T14:37:07.467960Z",
"updated_at": "2022-09-04T14:37:07.467985Z",
"structure_string": "Tl4 Te2 I12\n1.0\n0.000000 7.775139 -0.017100\n8.316333 0.000000 0.000000\n0.000000 -7.649410 -11.349028\nTl Te I\n4 2 12\ndirect\n0.287839 0.908314 0.754204 Tl\n0.712161 0.408315 0.745797 Tl\n0.712161 0.091685 0.245797 Tl\n0.287839 0.591685 0.254204 Tl\n0.000000 0.000000 0.000000 Te\n0.000000 0.500000 0.500000 Te\n0.639949 0.196548 0.955218 I\n0.360052 0.696548 0.544782 I\n0.163253 0.504043 0.755676 I\n0.836747 0.004043 0.744324 I\n0.836747 0.495957 0.244324 I\n0.770229 0.807097 0.461354 I\n0.229772 0.307098 0.038646 I\n0.639949 0.303452 0.455218 I\n0.770229 0.692902 0.961354 I\n0.229772 0.192902 0.538646 I\n0.163253 0.995956 0.255676 I\n0.360051 0.803451 0.044782 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tl",
"Te",
"I"
],
"chemical_system": "I-Te-Tl",
"density": 5.86465746439356,
"density_atomic": 0.024492352176335587,
"volume": 734.9232883149348,
"volume_molar": 24.587841611303336,
"formula_full": "Tl4 Te2 I12",
"formula_reduced": "Tl2TeI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-3882",
"created_at": "2022-09-04T14:36:01.543565Z",
"updated_at": "2022-09-04T14:36:01.543593Z",
"structure_string": "Tl2 Te1 Cl6\n1.0\n6.182766 -0.000000 3.569622\n2.060922 5.829168 3.569622\n0.000000 0.000000 7.139243\nTl Te Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.749999 Tl\n0.000000 0.000000 0.000000 Te\n0.253702 0.746298 0.746297 Cl\n0.253702 0.746298 0.253702 Cl\n0.746298 0.253703 0.746297 Cl\n0.746298 0.253703 0.253702 Cl\n0.746298 0.746298 0.253702 Cl\n0.253703 0.253703 0.746297 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"Te",
"Cl"
],
"chemical_system": "Cl-Te-Tl",
"density": 4.834353675588957,
"density_atomic": 0.034978482397412615,
"volume": 257.3010429024713,
"volume_molar": 17.216701089483124,
"formula_full": "Tl2 Te1 Cl6",
"formula_reduced": "Tl2TeCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-13138",
"created_at": "2022-09-04T14:37:07.458105Z",
"updated_at": "2022-09-04T14:37:07.458122Z",
"structure_string": "Tl4 Te2 Br12\n1.0\n7.328524 0.000000 -0.000000\n0.000000 7.328524 0.000000\n-0.000000 0.000000 11.112400\nTl Te Br\n4 2 12\ndirect\n0.500000 0.000000 0.750000 Tl\n0.000000 0.500000 0.750000 Tl\n0.500000 0.000000 0.250000 Tl\n0.000000 0.500000 0.250000 Tl\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.747220 Br\n0.000000 0.000000 0.752780 Br\n0.500000 0.500000 0.252780 Br\n0.000000 0.000000 0.247220 Br\n0.311528 0.795224 0.000000 Br\n0.795224 0.688472 0.000000 Br\n0.295225 0.811527 0.500000 Br\n0.204775 0.311528 0.000000 Br\n0.811527 0.704775 0.500000 Br\n0.188472 0.295225 0.500000 Br\n0.704775 0.188472 0.500000 Br\n0.688472 0.204775 0.000000 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tl",
"Te",
"Br"
],
"chemical_system": "Br-Te-Tl",
"density": 5.65252364918512,
"density_atomic": 0.03016001897314932,
"volume": 596.8166006800238,
"volume_molar": 19.967297651110087,
"formula_full": "Tl4 Te2 Br12",
"formula_reduced": "Tl2TeBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 128
},
{
"id": "jvasp-29456",
"created_at": "2022-09-04T14:37:03.476757Z",
"updated_at": "2022-09-04T14:37:03.476783Z",
"structure_string": "Tl4 Te6 O14\n1.0\n6.488485 0.049583 -2.293399\n-3.090402 6.761455 -0.244791\n-0.082686 -0.012580 10.004134\nTl Te O\n4 6 14\ndirect\n0.879846 0.152685 0.827885 Tl\n0.295179 0.023367 0.571043 Tl\n0.120152 0.847314 0.172114 Tl\n0.704819 0.976632 0.428956 Tl\n0.485532 0.215923 0.983279 Te\n0.132725 0.352774 0.233066 Te\n0.263303 0.505988 0.660435 Te\n0.867274 0.647225 0.766933 Te\n0.514466 0.784076 0.016720 Te\n0.736696 0.494011 0.339564 Te\n0.761028 0.837693 0.960312 O\n0.939340 0.532305 0.623596 O\n0.443479 0.550567 0.306557 O\n0.894092 0.766872 0.367672 O\n0.660428 0.101970 0.123373 O\n0.681969 0.475542 0.130709 O\n0.556520 0.449432 0.693443 O\n0.818611 0.848481 0.673001 O\n0.339571 0.898029 0.876626 O\n0.181388 0.151518 0.326998 O\n0.105907 0.233127 0.632328 O\n0.060659 0.467694 0.376403 O\n0.318029 0.524457 0.869290 O\n0.238970 0.162305 0.039687 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tl",
"Te",
"O"
],
"chemical_system": "O-Te-Tl",
"density": 6.834915883306285,
"density_atomic": 0.054664725596710734,
"volume": 439.0399794020757,
"volume_molar": 11.016502313445002,
"formula_full": "Tl4 Te6 O14",
"formula_reduced": "Tl2Te3O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.773824416666667,
"spacegroup": 2
},
{
"id": "jvasp-13048",
"created_at": "2022-09-04T14:38:14.531800Z",
"updated_at": "2022-09-04T14:38:14.531813Z",
"structure_string": "Tl4 Te6\n1.0\n6.608721 0.000000 0.000000\n-3.304361 6.421059 -1.928023\n0.000000 0.083078 8.064455\nTl Te\n4 6\ndirect\n0.545735 0.783365 0.552336 Tl\n0.762371 0.216635 0.947665 Tl\n0.454265 0.216635 0.447665 Tl\n0.237630 0.783365 0.052336 Tl\n0.324085 0.361641 0.078752 Te\n0.962445 0.638360 0.421249 Te\n0.675915 0.638360 0.921249 Te\n0.037555 0.361641 0.578752 Te\n0.860993 0.000000 0.250000 Te\n0.139007 0.000000 0.750000 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Tl",
"Te"
],
"chemical_system": "Te-Tl",
"density": 7.658190059075021,
"density_atomic": 0.029131281258279552,
"volume": 343.27360720386605,
"volume_molar": 20.672419817746317,
"formula_full": "Tl4 Te6",
"formula_reduced": "Tl2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.3379111959999998,
"spacegroup": 15
},
{
"id": "jvasp-19098",
"created_at": "2022-09-04T14:36:35.417041Z",
"updated_at": "2022-09-04T14:36:35.417071Z",
"structure_string": "Tl8 S4 O16\n1.0\n5.910784 -0.000000 0.000000\n0.000000 7.817920 0.000000\n0.000000 0.000000 10.616026\nTl S O\n8 4 16\ndirect\n0.250000 0.490549 0.201680 Tl\n0.750000 0.509451 0.798320 Tl\n0.250000 0.990549 0.298320 Tl\n0.750000 0.009451 0.701680 Tl\n0.250000 0.169881 0.911903 Tl\n0.750000 0.830119 0.088097 Tl\n0.250000 0.669881 0.588097 Tl\n0.750000 0.330119 0.411903 Tl\n0.750000 0.773216 0.421229 S\n0.250000 0.226784 0.578771 S\n0.750000 0.273216 0.078771 S\n0.250000 0.726784 0.921229 S\n0.250000 0.036983 0.582706 O\n0.750000 0.963017 0.417294 O\n0.750000 0.711506 0.555029 O\n0.250000 0.288494 0.444972 O\n0.750000 0.211506 0.944972 O\n0.250000 0.788494 0.055028 O\n0.956463 0.705281 0.357349 O\n0.456463 0.794719 0.857349 O\n0.543536 0.205281 0.142651 O\n0.043536 0.794719 0.857349 O\n0.043536 0.294719 0.642651 O\n0.543536 0.705281 0.357349 O\n0.750000 0.463017 0.082706 O\n0.956463 0.205281 0.142651 O\n0.456463 0.294719 0.642651 O\n0.250000 0.536983 0.917294 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tl",
"S",
"O"
],
"chemical_system": "O-S-Tl",
"density": 6.835263657964856,
"density_atomic": 0.05707681712139734,
"volume": 490.56694840650414,
"volume_molar": 10.550940055384375,
"formula_full": "Tl8 S4 O16",
"formula_reduced": "Tl2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4801241714285711,
"spacegroup": 62
},
{
"id": "jvasp-115326",
"created_at": "2022-09-04T14:38:46.436439Z",
"updated_at": "2022-09-04T14:38:46.436473Z",
"structure_string": "Tl2 S1 O2\n1.0\n3.809644 0.000000 -0.000000\n-1.904822 3.299249 0.000000\n-0.000000 -0.000000 6.775522\nTl S O\n2 1 2\ndirect\n0.666667 0.333333 0.774627 Tl\n0.333333 0.666666 0.225373 Tl\n0.000000 0.000000 0.500000 S\n0.666667 0.333333 0.131673 O\n0.333333 0.666666 0.868328 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"S",
"O"
],
"chemical_system": "O-S-Tl",
"density": 9.219603435934138,
"density_atomic": 0.0587121192522331,
"volume": 85.16129316537703,
"volume_molar": 10.25706589491053,
"formula_full": "Tl2 S1 O2",
"formula_reduced": "Tl2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.0569284399999996,
"spacegroup": 164
},
{
"id": "jvasp-98729",
"created_at": "2022-09-04T14:38:16.858071Z",
"updated_at": "2022-09-04T14:38:16.858103Z",
"structure_string": "Tl4 Sn2 Te10\n1.0\n7.603698 -0.000000 -3.653368\n-1.755876 7.397621 -3.654478\n0.000359 -0.001010 9.740160\nTl Sn Te\n4 2 10\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 -0.000000 Tl\n0.249952 0.250000 0.500000 Tl\n0.750048 0.750000 0.500000 Tl\n0.249985 0.750000 0.500000 Sn\n0.750014 0.250000 0.500000 Sn\n0.500000 -0.000000 -0.000000 Te\n-0.000000 0.500000 -0.000000 Te\n0.321895 0.821884 0.268970 Te\n0.447075 0.321884 0.268970 Te\n0.821785 0.946994 0.268791 Te\n0.552925 0.678116 0.731029 Te\n0.178215 0.053006 0.731209 Te\n0.052994 0.553006 0.731209 Te\n0.678105 0.178116 0.731029 Te\n0.947006 0.446994 0.268791 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"Te"
],
"chemical_system": "Sn-Te-Tl",
"density": 7.065116310927594,
"density_atomic": 0.029204962107265836,
"volume": 547.8521061329984,
"volume_molar": 20.620265617471098,
"formula_full": "Tl4 Sn2 Te10",
"formula_reduced": "Tl2SnTe5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.5128219666666667,
"spacegroup": 140
},
{
"id": "jvasp-97706",
"created_at": "2022-09-04T14:35:51.241919Z",
"updated_at": "2022-09-04T14:35:51.241929Z",
"structure_string": "Tl8 Sn4 O12\n1.0\n3.291550 -0.000000 0.000000\n-0.000000 10.321840 0.000000\n0.000000 0.000000 12.539662\nTl Sn O\n8 4 12\ndirect\n0.750000 0.132687 0.893625 Tl\n0.250000 0.867313 0.106375 Tl\n0.750000 0.632687 0.606375 Tl\n0.250000 0.367313 0.393625 Tl\n0.750000 0.291261 0.649922 Tl\n0.250000 0.708739 0.350078 Tl\n0.750000 0.791261 0.850078 Tl\n0.250000 0.208739 0.149922 Tl\n0.250000 0.959505 0.610903 Sn\n0.750000 0.040495 0.389097 Sn\n0.250000 0.459505 0.889097 Sn\n0.750000 0.540495 0.110903 Sn\n0.250000 0.787402 0.691531 O\n0.750000 0.392501 0.991224 O\n0.250000 0.607499 0.008776 O\n0.750000 0.892501 0.508776 O\n0.250000 0.107499 0.491224 O\n0.750000 0.042254 0.692138 O\n0.250000 0.957746 0.307862 O\n0.750000 0.542254 0.807862 O\n0.250000 0.457746 0.192138 O\n0.250000 0.287402 0.808469 O\n0.750000 0.712598 0.191531 O\n0.750000 0.212598 0.308469 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"O"
],
"chemical_system": "O-Sn-Tl",
"density": 8.972056289980612,
"density_atomic": 0.05633364231091813,
"volume": 426.0331662479512,
"volume_molar": 10.69013206489018,
"formula_full": "Tl8 Sn4 O12",
"formula_reduced": "Tl2SnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9624495666666666,
"spacegroup": 62
},
{
"id": "jvasp-56397",
"created_at": "2022-09-04T14:37:04.136548Z",
"updated_at": "2022-09-04T14:37:04.136575Z",
"structure_string": "Tl2 Sn1 Hg1 Te4\n1.0\n6.810951 0.001602 -1.883695\n-3.943724 5.553025 -1.883695\n-0.000828 -0.001602 7.066637\nTl Sn Hg Te\n2 1 1 4\ndirect\n0.000000 0.500001 0.500001 Tl\n0.500000 0.000000 0.500001 Tl\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000001 Hg\n0.423219 0.423219 0.367828 Te\n0.576782 0.944610 0.000001 Te\n0.944609 0.576782 0.000001 Te\n0.055391 0.055391 0.632174 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Tl",
"Sn",
"Hg",
"Te"
],
"chemical_system": "Hg-Sn-Te-Tl",
"density": 7.694448326710578,
"density_atomic": 0.02993188571093361,
"volume": 267.27350482558256,
"volume_molar": 20.11948334347747,
"formula_full": "Tl2 Sn1 Hg1 Te4",
"formula_reduced": "Tl2SnHgTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.1351928208333334,
"spacegroup": 121
},
{
"id": "jvasp-91926",
"created_at": "2022-09-04T14:36:00.712113Z",
"updated_at": "2022-09-04T14:36:00.712148Z",
"structure_string": "Tl2 Sn1 Hg1 Se4\n1.0\n-4.051719 4.051719 -3.515488\n4.051719 -4.051719 -3.515488\n-4.051719 -4.051719 3.515488\nTl Sn Hg Se\n2 1 1 4\ndirect\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Hg\n0.944541 0.944541 0.351700 Se\n0.592841 0.592841 0.648300 Se\n0.055460 0.407160 0.000000 Se\n0.407160 0.055460 0.000000 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Tl",
"Sn",
"Hg",
"Se"
],
"chemical_system": "Hg-Se-Sn-Tl",
"density": 7.509075893463127,
"density_atomic": 0.03465498696805635,
"volume": 230.84700644597257,
"volume_molar": 17.377414585528424,
"formula_full": "Tl2 Sn1 Hg1 Se4",
"formula_reduced": "Tl2SnHgSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.3982581208333333,
"spacegroup": 121
},
{
"id": "jvasp-3096",
"created_at": "2022-09-04T14:35:44.345948Z",
"updated_at": "2022-09-04T14:35:44.345984Z",
"structure_string": "Tl2 Sn1 F6\n1.0\n3.048547 -5.280239 0.000000\n3.048547 5.280239 0.000000\n0.000000 0.000000 4.796120\nTl Sn F\n2 1 6\ndirect\n0.666668 0.333333 0.696724 Tl\n0.333333 0.666668 0.303276 Tl\n0.000000 0.000000 0.000000 Sn\n0.841185 0.158816 0.230415 F\n0.317630 0.158815 0.230415 F\n0.841186 0.682371 0.230415 F\n0.158816 0.841185 0.769585 F\n0.682371 0.841186 0.769585 F\n0.158815 0.317630 0.769585 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"F"
],
"chemical_system": "F-Sn-Tl",
"density": 6.89853572645395,
"density_atomic": 0.05828757638060049,
"volume": 154.406831761758,
"volume_molar": 10.331774168610504,
"formula_full": "Tl2 Sn1 F6",
"formula_reduced": "Tl2SnF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 164
}
]
}