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=4602",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4600",
"results": [
{
"id": "jvasp-29425",
"created_at": "2022-09-04T14:38:27.242843Z",
"updated_at": "2022-09-04T14:38:27.242867Z",
"structure_string": "Tl18 S9\n1.0\n9.360961 -0.054446 1.238602\n1.078402 9.298795 1.238601\n-0.061485 -0.054446 9.442348\nTl S\n18 9\ndirect\n0.763030 0.728476 0.434986 Tl\n0.324086 0.360579 0.698570 Tl\n0.031911 0.657389 0.693937 Tl\n0.027255 0.365261 -0.009338 Tl\n0.061953 0.768294 0.096250 Tl\n0.395196 0.101672 0.429560 Tl\n0.728477 0.434985 0.763030 Tl\n0.429560 0.395195 0.101673 Tl\n0.360580 0.698570 0.324086 Tl\n0.693937 0.031911 0.657390 Tl\n0.365261 -0.009338 0.027255 Tl\n0.698570 0.324085 0.360580 Tl\n0.434986 0.763029 0.728476 Tl\n0.096250 0.061953 0.768295 Tl\n0.101673 0.429560 0.395196 Tl\n0.657389 0.693936 0.031911 Tl\n0.768295 0.096249 0.061953 Tl\n-0.009338 0.027255 0.365262 Tl\n0.581071 0.914354 0.247803 S\n0.207078 0.873833 0.540453 S\n0.914355 0.247802 0.581071 S\n0.534801 0.534800 0.534801 S\n0.247803 0.581070 0.914355 S\n0.201392 0.201392 0.201392 S\n0.540453 0.207077 0.873834 S\n0.873834 0.540452 0.207078 S\n0.868145 0.868144 0.868145 S\n",
"nsites": 27,
"nelements": 2,
"elements": [
"Tl",
"S"
],
"chemical_system": "S-Tl",
"density": 7.997860611748579,
"density_atomic": 0.032777307071081695,
"volume": 823.7406429224683,
"volume_molar": 18.372896671896306,
"formula_full": "Tl18 S9",
"formula_reduced": "Tl2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3072144444444443,
"spacegroup": 143
},
{
"id": "jvasp-100247",
"created_at": "2022-09-04T14:36:37.147592Z",
"updated_at": "2022-09-04T14:36:37.147612Z",
"structure_string": "Tl3 S1\n1.0\n4.307460 -0.031514 -4.247518\n-0.775598 4.237176 -4.247518\n0.026465 0.031514 6.049374\nTl S\n3 1\ndirect\n0.749999 0.250000 0.499999 Tl\n0.249999 0.750001 0.499999 Tl\n0.500000 0.500001 0.000000 Tl\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"S"
],
"chemical_system": "S-Tl",
"density": 9.615707638761386,
"density_atomic": 0.035899446790605596,
"volume": 111.42232980165997,
"volume_molar": 16.77502384681848,
"formula_full": "Tl3 S1",
"formula_reduced": "Tl3S",
"formula_anonymous": "AB3",
"energy_above_hull": 0.23912,
"spacegroup": 139
},
{
"id": "jvasp-8034",
"created_at": "2022-09-04T14:37:11.851149Z",
"updated_at": "2022-09-04T14:37:11.851177Z",
"structure_string": "Tl4 S4\n1.0\n6.282870 0.038470 -1.825795\n-3.532539 5.195874 -1.825795\n-0.020214 -0.038470 6.542750\nTl S\n4 4\ndirect\n0.250000 0.250000 0.000000 Tl\n0.749999 0.749999 0.000001 Tl\n0.750000 0.250000 0.500001 Tl\n0.250000 0.749999 0.500001 Tl\n0.675291 0.175291 0.850584 S\n0.175291 0.324709 0.500000 S\n0.824709 0.675291 0.500001 S\n0.324708 0.824708 0.149417 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"S"
],
"chemical_system": "S-Tl",
"density": 7.352739932821743,
"density_atomic": 0.03745362928168859,
"volume": 213.59745780127295,
"volume_molar": 16.078924460717822,
"formula_full": "Tl4 S4",
"formula_reduced": "TlS",
"formula_anonymous": "AB",
"energy_above_hull": 0.4780983333333333,
"spacegroup": 140
},
{
"id": "jvasp-59104",
"created_at": "2022-09-04T14:38:29.368501Z",
"updated_at": "2022-09-04T14:38:29.368529Z",
"structure_string": "Tl8 S20\n1.0\n6.595557 0.000000 0.000000\n0.000000 6.699892 0.000000\n0.000000 0.000000 16.808674\nTl S\n8 20\ndirect\n0.428846 0.201453 0.148826 Tl\n0.928846 0.298547 0.851173 Tl\n0.571154 0.701453 0.351173 Tl\n0.071154 0.798546 0.648826 Tl\n0.167610 0.599787 0.030440 Tl\n0.667611 0.900212 0.969560 Tl\n0.832390 0.099787 0.469560 Tl\n0.332390 0.400213 0.530440 Tl\n0.575564 0.428085 0.977342 S\n0.079540 0.631790 0.373337 S\n0.579540 0.868210 0.626663 S\n0.571691 0.125669 0.699468 S\n0.420460 0.368210 0.873337 S\n0.071691 0.374331 0.300531 S\n0.075564 0.071915 0.022657 S\n0.920460 0.131790 0.126663 S\n0.424437 0.928085 0.522657 S\n0.734770 0.665822 0.147858 S\n0.265230 0.165823 0.352142 S\n0.765230 0.334177 0.647858 S\n0.928310 0.874331 0.199469 S\n0.234770 0.834177 0.852142 S\n0.563964 0.240959 0.327361 S\n0.063964 0.259041 0.672639 S\n0.436036 0.740959 0.172639 S\n0.936036 0.759040 0.827361 S\n0.924437 0.571915 0.477343 S\n0.428310 0.625669 0.800531 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Tl",
"S"
],
"chemical_system": "S-Tl",
"density": 5.089071233027291,
"density_atomic": 0.0376968704501765,
"volume": 742.7672288342148,
"volume_molar": 15.975174299838475,
"formula_full": "Tl8 S20",
"formula_reduced": "Tl2S5",
"formula_anonymous": "A2B5",
"energy_above_hull": 1.415744761904762,
"spacegroup": 19
},
{
"id": "jvasp-101617",
"created_at": "2022-09-04T14:36:41.402994Z",
"updated_at": "2022-09-04T14:36:41.403015Z",
"structure_string": "Tl6 S2\n1.0\n6.835666 -0.000000 0.000000\n-3.417833 5.919860 0.000000\n0.000000 0.000000 5.556977\nTl S\n6 2\ndirect\n0.172425 0.344850 0.250000 Tl\n0.655151 0.827575 0.250000 Tl\n0.172425 0.827575 0.250000 Tl\n0.827576 0.655150 0.750000 Tl\n0.344850 0.172425 0.750000 Tl\n0.827576 0.172425 0.750000 Tl\n0.333334 0.666667 0.750000 S\n0.666667 0.333333 0.250000 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"S"
],
"chemical_system": "S-Tl",
"density": 9.529115949098188,
"density_atomic": 0.035576163900530845,
"volume": 224.86966336133358,
"volume_molar": 16.92745956769707,
"formula_full": "Tl6 S2",
"formula_reduced": "Tl3S",
"formula_anonymous": "AB3",
"energy_above_hull": 0.23815,
"spacegroup": 194
},
{
"id": "jvasp-16279",
"created_at": "2022-09-04T14:37:53.858868Z",
"updated_at": "2022-09-04T14:37:53.858892Z",
"structure_string": "Tl1 S1\n1.0\n3.605153 0.000000 0.000000\n-0.000000 3.605153 0.000000\n0.000000 0.000000 3.605153\nTl S\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"S"
],
"chemical_system": "S-Tl",
"density": 8.379424487949553,
"density_atomic": 0.0426833889452043,
"volume": 46.856635553646925,
"volume_molar": 14.108862742204114,
"formula_full": "Tl1 S1",
"formula_reduced": "TlS",
"formula_anonymous": "AB",
"energy_above_hull": 0.5808733333333332,
"spacegroup": 221
},
{
"id": "jvasp-79614",
"created_at": "2022-09-04T14:37:17.919540Z",
"updated_at": "2022-09-04T14:37:17.919550Z",
"structure_string": "Tm1 Tl1 S2\n1.0\n-1.977840 -3.425720 0.000000\n1.977840 -3.425720 0.000000\n0.000000 -2.283813 7.489107\nTm Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tl\n0.267937 0.267937 0.196188 S\n0.732062 0.732062 0.803812 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Tl",
"S"
],
"chemical_system": "S-Tl-Tm",
"density": 7.157675346205307,
"density_atomic": 0.03941458344488106,
"volume": 101.48527906158799,
"volume_molar": 15.278965889419089,
"formula_full": "Tm1 Tl1 S2",
"formula_reduced": "TmTlS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7179417125,
"spacegroup": 166
},
{
"id": "jvasp-2445",
"created_at": "2022-09-04T14:36:38.147676Z",
"updated_at": "2022-09-04T14:36:38.147733Z",
"structure_string": "Tl3 V1 S4\n1.0\n6.188730 -0.000000 -2.188047\n-3.094365 5.359598 -2.188047\n0.000000 0.000000 6.564139\nTl V S\n3 1 4\ndirect\n0.500000 -0.000000 0.500000 Tl\n0.500001 0.500000 -0.000000 Tl\n0.000001 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 V\n0.330615 0.330615 0.330614 S\n0.669386 0.000000 -0.000000 S\n0.000001 0.669386 -0.000000 S\n-0.000000 -0.000000 0.669386 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"V",
"S"
],
"chemical_system": "S-Tl-V",
"density": 6.043039122918887,
"density_atomic": 0.03674332598287152,
"volume": 217.72661526964993,
"volume_molar": 16.389754054402466,
"formula_full": "Tl3 V1 S4",
"formula_reduced": "Tl3VS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.37088775,
"spacegroup": 217
},
{
"id": "jvasp-79589",
"created_at": "2022-09-04T14:37:16.510053Z",
"updated_at": "2022-09-04T14:37:16.510077Z",
"structure_string": "Y1 Tl1 S2\n1.0\n-2.008767 -3.479285 -0.000000\n2.008767 -3.479285 -0.000000\n0.000000 -2.319524 7.474923\nY Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.499999 0.499999 0.500000 Tl\n0.266959 0.266959 0.199120 S\n0.733038 0.733038 0.800880 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tl",
"S"
],
"chemical_system": "S-Tl-Y",
"density": 5.680291538315238,
"density_atomic": 0.038282800698723266,
"volume": 104.48556341211996,
"volume_molar": 15.730669256392305,
"formula_full": "Y1 Tl1 S2",
"formula_reduced": "YTlS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1013495125,
"spacegroup": 166
},
{
"id": "jvasp-17411",
"created_at": "2022-09-04T14:38:29.157233Z",
"updated_at": "2022-09-04T14:38:29.157258Z",
"structure_string": "Yb1 Tl1 S2\n1.0\n3.687641 -0.155838 6.089751\n1.581592 3.334899 6.089751\n-0.258298 -0.155838 7.114565\nYb Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500001 Tl\n0.742109 0.742109 0.742111 S\n0.257890 0.257890 0.257891 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Tl",
"S"
],
"chemical_system": "S-Tl-Yb",
"density": 7.579458389400868,
"density_atomic": 0.04134908770588621,
"volume": 96.73732171436963,
"volume_molar": 14.56414420273346,
"formula_full": "Yb1 Tl1 S2",
"formula_reduced": "YbTlS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.277693325,
"spacegroup": 166
},
{
"id": "jvasp-99321",
"created_at": "2022-09-04T14:36:39.355557Z",
"updated_at": "2022-09-04T14:36:39.355583Z",
"structure_string": "Tm16 S24\n1.0\n10.195982 0.000000 -3.604824\n-5.097991 8.829979 -3.604824\n0.000000 0.000000 10.814472\nTm S\n16 24\ndirect\n0.500000 0.500000 0.500000 Tm\n0.951650 0.250000 0.201651 Tm\n0.750000 0.298350 0.548350 Tm\n0.201650 0.951650 0.250000 Tm\n0.298350 0.548350 0.750000 Tm\n0.250000 0.201650 0.951650 Tm\n0.048350 0.750000 0.798350 Tm\n0.548350 0.750000 0.298350 Tm\n0.798350 0.048350 0.750000 Tm\n0.701650 0.451650 0.250000 Tm\n0.750000 0.798350 0.048350 Tm\n0.451650 0.250000 0.701650 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 -0.000000 0.000000 Tm\n0.250000 0.701650 0.451651 Tm\n-0.000000 -0.000000 0.500000 Tm\n0.722708 0.267105 0.777882 S\n0.777292 0.555173 0.544397 S\n0.989224 0.944827 0.722119 S\n0.955603 0.510776 0.232896 S\n0.055173 0.277881 0.010776 S\n0.777881 0.722708 0.267105 S\n0.767105 0.044397 0.489224 S\n0.732895 0.222119 0.277292 S\n0.455603 0.222708 0.444827 S\n0.222708 0.444827 0.455603 S\n0.010776 0.055173 0.277881 S\n0.044397 0.489224 0.767105 S\n0.277292 0.732895 0.222119 S\n0.510776 0.232895 0.955603 S\n0.277881 0.010776 0.055173 S\n0.222119 0.277292 0.732895 S\n0.444827 0.455603 0.222708 S\n0.944827 0.722119 0.989224 S\n0.232895 0.955603 0.510777 S\n0.267105 0.777881 0.722708 S\n0.544397 0.777292 0.555174 S\n0.555173 0.544397 0.777292 S\n0.489224 0.767105 0.044398 S\n0.722119 0.989224 0.944827 S\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Tm",
"S"
],
"chemical_system": "S-Tm",
"density": 5.922406609136596,
"density_atomic": 0.0410833585683172,
"volume": 973.6302336013816,
"volume_molar": 14.658345787348004,
"formula_full": "Tm16 S24",
"formula_reduced": "Tm2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3399397,
"spacegroup": 206
},
{
"id": "jvasp-19966",
"created_at": "2022-09-04T14:37:43.302096Z",
"updated_at": "2022-09-04T14:37:43.302107Z",
"structure_string": "Tm1 S1\n1.0\n3.319022 -0.000000 1.916238\n1.106341 3.129204 1.916238\n0.000000 0.000000 3.832477\nTm S\n1 1\ndirect\n0.500000 0.499999 0.500001 Tm\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"S"
],
"chemical_system": "S-Tm",
"density": 8.385324675382254,
"density_atomic": 0.0502465711491146,
"volume": 39.80371106447613,
"volume_molar": 11.985177540032236,
"formula_full": "Tm1 S1",
"formula_reduced": "TmS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0438821250000001,
"spacegroup": 225
}
]
}