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=537",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=535",
"results": [
{
"id": "jvasp-91355",
"created_at": "2022-09-04T14:35:49.570612Z",
"updated_at": "2022-09-04T14:35:49.570645Z",
"structure_string": "Tl8 Pb2 I12\n1.0\n4.593668 0.000000 0.000000\n0.000000 9.938296 0.000000\n0.000000 0.000000 19.209729\nTl Pb I\n8 2 12\ndirect\n0.500000 0.893653 0.580136 Tl\n0.500000 0.106347 0.419864 Tl\n0.500000 0.707252 0.795529 Tl\n0.500000 0.292749 0.204471 Tl\n0.500000 0.207251 0.704471 Tl\n0.500000 0.792749 0.295529 Tl\n0.500000 0.606347 0.080136 Tl\n0.500000 0.393653 0.919865 Tl\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.306101 0.054633 I\n0.000000 0.591154 0.213850 I\n0.000000 0.806101 0.445367 I\n0.500000 0.058993 0.883497 I\n0.500000 0.941008 0.116503 I\n0.500000 0.558993 0.616503 I\n0.500000 0.441007 0.383497 I\n0.000000 0.908847 0.713850 I\n0.000000 0.091153 0.286150 I\n0.000000 0.408847 0.786151 I\n0.000000 0.193899 0.554633 I\n0.000000 0.693900 0.945367 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Pb",
"I"
],
"chemical_system": "I-Pb-Tl",
"density": 6.764048106095185,
"density_atomic": 0.025085912962060804,
"volume": 876.9862206439188,
"volume_molar": 24.00606575135499,
"formula_full": "Tl8 Pb2 I12",
"formula_reduced": "Tl4PbI6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 55
},
{
"id": "jvasp-24589",
"created_at": "2022-09-04T14:37:08.774508Z",
"updated_at": "2022-09-04T14:37:08.774528Z",
"structure_string": "Tl8 O6\n1.0\n0.000000 7.696900 -0.020337\n3.536012 0.000000 0.000000\n0.000000 -3.645839 -10.435335\nTl O\n8 6\ndirect\n0.574145 0.250000 0.390631 Tl\n0.425856 0.750000 0.609370 Tl\n0.931814 0.750000 0.630837 Tl\n0.068187 0.250000 0.369164 Tl\n0.695563 0.750000 0.146008 Tl\n0.304438 0.250000 0.853993 Tl\n0.225776 0.750000 0.134447 Tl\n0.774224 0.250000 0.865554 Tl\n0.776530 0.750000 0.398931 O\n0.223470 0.250000 0.601069 O\n0.524806 0.750000 0.826957 O\n0.475195 0.250000 0.173044 O\n0.363954 0.750000 0.389085 O\n0.636047 0.250000 0.610915 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Tl",
"O"
],
"chemical_system": "O-Tl",
"density": 10.111724455002394,
"density_atomic": 0.04924831105004592,
"volume": 284.27370810286794,
"volume_molar": 12.228116318304451,
"formula_full": "Tl8 O6",
"formula_reduced": "Tl4O3",
"formula_anonymous": "A3B4",
"energy_above_hull": 0.6544515571428573,
"spacegroup": 11
},
{
"id": "jvasp-87957",
"created_at": "2022-09-04T14:35:52.480567Z",
"updated_at": "2022-09-04T14:35:52.480585Z",
"structure_string": "Tl8 Hg2 I12\n1.0\n9.305157 -0.000000 0.000000\n-0.000000 9.440187 0.000000\n0.000000 0.000000 9.440187\nTl Hg I\n8 2 12\ndirect\n0.250000 0.351978 0.851978 Tl\n0.250000 0.851978 0.648023 Tl\n0.250000 0.648023 0.148022 Tl\n0.750000 0.648023 0.148022 Tl\n0.750000 0.851978 0.648023 Tl\n0.750000 0.148022 0.351978 Tl\n0.750000 0.351978 0.851978 Tl\n0.250000 0.148022 0.351978 Tl\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.204468 0.500000 0.500000 I\n0.500000 0.358365 0.171488 I\n0.795532 0.500000 0.500000 I\n0.000000 0.328513 0.141635 I\n0.000000 0.858365 0.328513 I\n0.000000 0.141635 0.671488 I\n0.000000 0.671488 0.858365 I\n0.500000 0.828513 0.358365 I\n0.500000 0.171488 0.641636 I\n0.500000 0.641636 0.828513 I\n0.704468 0.000000 0.000000 I\n0.295532 0.000000 0.000000 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Hg",
"I"
],
"chemical_system": "Hg-I-Tl",
"density": 7.126961179444861,
"density_atomic": 0.026530032446828958,
"volume": 829.2488915756899,
"volume_molar": 22.69933431883083,
"formula_full": "Tl8 Hg2 I12",
"formula_reduced": "Tl4HgI6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 128
},
{
"id": "jvasp-88654",
"created_at": "2022-09-04T14:36:02.660133Z",
"updated_at": "2022-09-04T14:36:02.660156Z",
"structure_string": "Tl8 Hg2 Br12\n1.0\n8.825389 0.000000 0.000000\n-0.000000 8.929299 0.000000\n0.000000 0.000000 8.929299\nTl Hg Br\n8 2 12\ndirect\n0.750000 0.148059 0.351941 Tl\n0.250000 0.148059 0.351941 Tl\n0.250000 0.648059 0.148059 Tl\n0.250000 0.351941 0.851941 Tl\n0.250000 0.851941 0.648059 Tl\n0.750000 0.851941 0.648059 Tl\n0.750000 0.351941 0.851941 Tl\n0.750000 0.648059 0.148059 Tl\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.207586 0.500000 0.500000 Br\n0.500000 0.358675 0.177943 Br\n0.792414 0.500000 0.500000 Br\n0.000000 0.322058 0.141325 Br\n0.000000 0.858675 0.322058 Br\n0.000000 0.141325 0.677943 Br\n0.000000 0.677943 0.858675 Br\n0.500000 0.822058 0.358675 Br\n0.500000 0.177943 0.641325 Br\n0.500000 0.641325 0.822058 Br\n0.707586 0.000000 0.000000 Br\n0.292414 0.000000 0.000000 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Hg",
"Br"
],
"chemical_system": "Br-Hg-Tl",
"density": 7.06791021901559,
"density_atomic": 0.03126468752098755,
"volume": 703.6692749681795,
"volume_molar": 19.261797374297824,
"formula_full": "Tl8 Hg2 Br12",
"formula_reduced": "Tl4HgBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 128
},
{
"id": "jvasp-11449",
"created_at": "2022-09-04T14:37:27.730272Z",
"updated_at": "2022-09-04T14:37:27.730302Z",
"structure_string": "Tl8 Ge2 S8\n1.0\n7.334358 0.000888 2.148429\n2.205015 8.168447 0.912033\n-0.019583 0.022622 8.509790\nTl Ge S\n8 2 8\ndirect\n0.496654 0.598657 0.372469 Tl\n0.593837 0.990481 0.246363 Tl\n0.093837 0.246363 0.990480 Tl\n0.564328 0.403690 0.984155 Tl\n0.064328 0.984155 0.403689 Tl\n0.580221 0.782787 0.792563 Tl\n0.080221 0.792563 0.782786 Tl\n-0.003346 0.372470 0.598657 Tl\n0.039370 0.621479 0.201585 Ge\n0.539370 0.201586 0.621478 Ge\n0.355285 0.044058 0.603287 S\n0.848336 0.723286 0.440884 S\n0.348336 0.440885 0.723286 S\n0.722534 0.251624 0.372702 S\n0.222534 0.372702 0.251624 S\n0.712742 0.083157 0.798372 S\n0.855285 0.603287 0.044058 S\n0.212741 0.798372 0.083157 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"S"
],
"chemical_system": "Ge-S-Tl",
"density": 6.63056187025168,
"density_atomic": 0.03528671219959163,
"volume": 510.10703117328995,
"volume_molar": 17.06631302439589,
"formula_full": "Tl8 Ge2 S8",
"formula_reduced": "Tl4GeS4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 0.7126418166666666,
"spacegroup": 9
},
{
"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-52161",
"created_at": "2022-09-04T14:37:27.511314Z",
"updated_at": "2022-09-04T14:37:27.511341Z",
"structure_string": "Tl8 Cu2 Te6\n1.0\n8.771332 0.022500 0.031850\n-4.358138 7.612058 -0.031850\n-4.358138 -2.573570 7.163880\nTl Cu Te\n8 2 6\ndirect\n0.205650 0.193362 0.693362 Tl\n0.500000 0.987711 0.193362 Tl\n0.500000 0.693362 0.487710 Tl\n0.205651 0.512290 0.012290 Tl\n0.794349 0.487710 0.987710 Tl\n0.500000 0.306638 0.512290 Tl\n0.500000 0.012290 0.806638 Tl\n0.794349 0.806638 0.306638 Tl\n-0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.750000 0.750000 Te\n0.177450 0.838725 0.338725 Te\n0.500000 0.661276 0.838725 Te\n0.500000 0.338725 0.161275 Te\n0.822549 0.161275 0.661275 Te\n-0.000000 0.250000 0.250000 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Te"
],
"chemical_system": "Cu-Te-Tl",
"density": 8.749817762905204,
"density_atomic": 0.03335295601717183,
"volume": 479.7175995963408,
"volume_molar": 18.05579318636552,
"formula_full": "Tl8 Cu2 Te6",
"formula_reduced": "Tl4CuTe3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-56764",
"created_at": "2022-09-04T14:37:06.296341Z",
"updated_at": "2022-09-04T14:37:06.296357Z",
"structure_string": "Tl8 Cr2 I12\n1.0\n9.118987 0.000000 0.000000\n0.000000 9.118987 -0.000000\n0.000000 0.000000 9.703996\nTl Cr I\n8 2 12\ndirect\n0.355706 0.144294 0.250000 Tl\n0.144294 0.644294 0.750000 Tl\n0.644294 0.855706 0.750000 Tl\n0.855706 0.355706 0.750000 Tl\n0.355706 0.144294 0.750000 Tl\n0.144294 0.644294 0.250000 Tl\n0.855706 0.355706 0.250000 Tl\n0.644294 0.855706 0.250000 Tl\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.715442 I\n0.199717 0.361545 0.000000 I\n0.000000 0.000000 0.784559 I\n0.361545 0.800283 0.000000 I\n0.500000 0.500000 0.284559 I\n0.300283 0.861545 0.500000 I\n0.138455 0.300283 0.500000 I\n0.638455 0.199717 0.000000 I\n0.800283 0.638455 0.000000 I\n0.861545 0.699717 0.500000 I\n0.000000 0.000000 0.215441 I\n0.699717 0.138455 0.500000 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"I"
],
"chemical_system": "Cr-I-Tl",
"density": 6.712395968199993,
"density_atomic": 0.027263328647038516,
"volume": 806.9447529617685,
"volume_molar": 22.08879494490544,
"formula_full": "Tl8 Cr2 I12",
"formula_reduced": "Tl4CrI6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0003590909090912,
"spacegroup": 128
},
{
"id": "jvasp-55651",
"created_at": "2022-09-04T14:38:36.853284Z",
"updated_at": "2022-09-04T14:38:36.853304Z",
"structure_string": "Tl8 Cr2 I12\n1.0\n9.177935 -0.052730 0.000000\n-0.300650 9.173161 0.000000\n0.000000 0.000000 9.670822\nTl Cr I\n8 2 12\ndirect\n0.140392 0.859608 0.250000 Tl\n0.859608 0.140392 0.750000 Tl\n0.140392 0.859608 0.750000 Tl\n0.350175 0.350175 0.250000 Tl\n0.649825 0.649825 0.250000 Tl\n0.649825 0.649825 0.750000 Tl\n0.350175 0.350175 0.750000 Tl\n0.859608 0.140392 0.250000 Tl\n0.500000 0.000000 0.000000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.146480 0.180537 0.500000 I\n0.367241 0.715219 0.000000 I\n-0.000000 0.500000 0.216135 I\n0.500000 0.000000 0.716135 I\n-0.000000 0.500000 0.783865 I\n0.632759 0.284781 0.000000 I\n0.715219 0.367241 0.500000 I\n0.284781 0.632759 0.500000 I\n0.180537 0.146480 0.000000 I\n0.819463 0.853520 0.000000 I\n0.853521 0.819463 0.500000 I\n0.500000 0.000000 0.283865 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"I"
],
"chemical_system": "Cr-I-Tl",
"density": 6.653892386417721,
"density_atomic": 0.02702570822286877,
"volume": 814.0397216818877,
"volume_molar": 22.283008128179784,
"formula_full": "Tl8 Cr2 I12",
"formula_reduced": "Tl4CrI6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 66
},
{
"id": "jvasp-56482",
"created_at": "2022-09-04T14:37:42.204538Z",
"updated_at": "2022-09-04T14:37:42.204567Z",
"structure_string": "Tl8 Cd2 I12\n1.0\n9.233272 -0.000000 0.000000\n0.000000 9.233272 -0.000000\n0.000000 0.000000 9.684566\nTl Cd I\n8 2 12\ndirect\n0.148337 0.351663 0.250000 Tl\n0.851663 0.648337 0.750000 Tl\n0.148337 0.351663 0.750000 Tl\n0.351663 0.851663 0.250000 Tl\n0.351663 0.851663 0.750000 Tl\n0.851663 0.648337 0.250000 Tl\n0.648337 0.148337 0.250000 Tl\n0.648337 0.148337 0.750000 Tl\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.314542 0.138629 0.000000 I\n0.500000 0.500000 0.204970 I\n0.638629 0.814542 0.500000 I\n0.361371 0.185458 0.500000 I\n0.185458 0.638629 0.500000 I\n0.814542 0.361371 0.500000 I\n0.138629 0.685457 0.000000 I\n0.000000 0.000000 0.704970 I\n0.000000 0.000000 0.295031 I\n0.861371 0.314542 0.000000 I\n0.685457 0.861371 0.000000 I\n0.500000 0.500000 0.795031 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Cd",
"I"
],
"chemical_system": "Cd-I-Tl",
"density": 6.803408621762064,
"density_atomic": 0.026645953068551588,
"volume": 825.6413250973225,
"volume_molar": 22.600583077313622,
"formula_full": "Tl8 Cd2 I12",
"formula_reduced": "Tl4CdI6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 128
},
{
"id": "jvasp-99500",
"created_at": "2022-09-04T14:36:33.881318Z",
"updated_at": "2022-09-04T14:36:33.881336Z",
"structure_string": "Tl4 Br3 Cl1\n1.0\n3.948587 -0.000000 0.000000\n0.000000 3.948587 0.000000\n-0.000000 -0.000000 15.793595\nTl Br Cl\n4 3 1\ndirect\n0.000000 0.000000 0.881820 Tl\n0.000000 0.000000 0.118180 Tl\n0.000000 0.000000 0.372858 Tl\n0.000000 0.000000 0.627142 Tl\n0.500000 0.500000 0.245603 Br\n0.500000 0.500000 0.500000 Br\n0.500000 0.500000 0.754397 Br\n0.500000 0.500000 -0.000000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Tl",
"density": 7.368598703825519,
"density_atomic": 0.03248819380409031,
"volume": 246.24329835759565,
"volume_molar": 18.53639754895147,
"formula_full": "Tl4 Br3 Cl1",
"formula_reduced": "Tl4Br3Cl",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-37640",
"created_at": "2022-09-04T14:38:03.903191Z",
"updated_at": "2022-09-04T14:38:03.903214Z",
"structure_string": "Tl3 Zn1\n1.0\n0.000000 3.820981 3.820981\n3.820981 -0.000000 3.820981\n3.820981 3.820981 -0.000000\nTl Zn\n3 1\ndirect\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.499999 Tl\n0.750001 0.750001 0.750001 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Zn"
],
"chemical_system": "Tl-Zn",
"density": 10.099084789662951,
"density_atomic": 0.035851337398444094,
"volume": 111.57184892560228,
"volume_molar": 16.797534477085794,
"formula_full": "Tl3 Zn1",
"formula_reduced": "Tl3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0015025,
"spacegroup": 225
}
]
}