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=508",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=506",
"results": [
{
"id": "jvasp-51185",
"created_at": "2022-09-04T14:36:39.597342Z",
"updated_at": "2022-09-04T14:36:39.597368Z",
"structure_string": "Tl1 Tc1 Ir2\n1.0\n0.000000 3.233482 3.233479\n3.233485 -0.000002 3.233481\n3.233484 3.233483 -0.000002\nTl Tc Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tc\n0.750000 0.750001 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Tc",
"Ir"
],
"chemical_system": "Ir-Tc-Tl",
"density": 16.867416998434546,
"density_atomic": 0.05915864929860837,
"volume": 67.61479593304533,
"volume_molar": 10.179645464186862,
"formula_full": "Tl1 Tc1 Ir2",
"formula_reduced": "TlTcIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.677196574999999,
"spacegroup": 225
},
{
"id": "jvasp-75834",
"created_at": "2022-09-04T14:36:16.814870Z",
"updated_at": "2022-09-04T14:36:16.814890Z",
"structure_string": "Tl1 Tc1 As1\n1.0\n0.000000 3.167590 3.167590\n3.167590 -0.000000 3.167590\n3.167590 3.167590 0.000000\nTl Tc As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Tc\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Tc",
"As"
],
"chemical_system": "As-Tc-Tl",
"density": 9.856543829274974,
"density_atomic": 0.04719591054941189,
"volume": 63.56482934806696,
"volume_molar": 12.759878323981276,
"formula_full": "Tl1 Tc1 As1",
"formula_reduced": "TlTcAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.316485283333333,
"spacegroup": 216
},
{
"id": "jvasp-115323",
"created_at": "2022-09-04T14:38:46.416498Z",
"updated_at": "2022-09-04T14:38:46.416527Z",
"structure_string": "Tl1 S1 O1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nTl S O\n1 1 1\ndirect\n-0.023770 0.336068 0.000000 Tl\n0.271484 -0.031721 0.000000 S\n-0.057156 -0.049656 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"S",
"O"
],
"chemical_system": "O-S-Tl",
"density": 2.0980297232939575,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "Tl1 S1 O1",
"formula_reduced": "TlSO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2877253666666668,
"spacegroup": 6
},
{
"id": "jvasp-81225",
"created_at": "2022-09-04T14:37:16.733715Z",
"updated_at": "2022-09-04T14:37:16.733740Z",
"structure_string": "Tl1 Sn1 Pb2\n1.0\n-10.258371 0.000786 -5.921391\n-10.198413 0.379817 5.817502\n-6.998356 9.430943 0.274842\nTl Sn Pb\n1 1 2\ndirect\n0.500000 -0.000000 0.000000 Tl\n0.000001 -0.000000 0.000000 Sn\n0.767680 -0.000000 0.000000 Pb\n0.232321 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"Pb"
],
"chemical_system": "Pb-Sn-Tl",
"density": 1.097832733007315,
"density_atomic": 0.003585824170275323,
"volume": 1115.5036638879246,
"volume_molar": 167.94300205572029,
"formula_full": "Tl1 Sn1 Pb2",
"formula_reduced": "TlSnPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.414031485,
"spacegroup": 71
},
{
"id": "jvasp-101046",
"created_at": "2022-09-04T14:36:44.287727Z",
"updated_at": "2022-09-04T14:36:44.287766Z",
"structure_string": "Tl2 Sn2 I6\n1.0\n7.787402 0.021587 0.000000\n-6.443383 4.373432 0.000000\n0.000000 -0.000000 11.847086\nTl Sn I\n2 2 6\ndirect\n0.249055 0.750945 0.250000 Tl\n0.750945 0.249055 0.750000 Tl\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.643480 0.356520 0.056557 I\n0.356520 0.643480 0.943443 I\n0.356520 0.643480 0.556557 I\n0.643480 0.356520 0.443443 I\n0.925375 0.074626 0.250000 I\n0.074626 0.925374 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"I"
],
"chemical_system": "I-Sn-Tl",
"density": 5.7694699170503325,
"density_atomic": 0.024683311106162655,
"volume": 405.1320326106213,
"volume_molar": 24.39762126766072,
"formula_full": "Tl2 Sn2 I6",
"formula_reduced": "TlSnI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-22943",
"created_at": "2022-09-04T14:38:28.799493Z",
"updated_at": "2022-09-04T14:38:28.799521Z",
"structure_string": "Tl4 Sn4 F28\n1.0\n0.000000 8.753627 0.051295\n5.409093 0.000000 0.000000\n0.000000 -5.527696 -10.783338\nTl Sn F\n4 4 28\ndirect\n0.813638 0.762365 0.736710 Tl\n0.186362 0.262365 0.763290 Tl\n0.186362 0.237635 0.263290 Tl\n0.813638 0.737634 0.236710 Tl\n0.728720 0.235368 0.458564 Sn\n0.271281 0.735367 0.041436 Sn\n0.271280 0.764632 0.541437 Sn\n0.728720 0.264632 0.958564 Sn\n0.014735 0.746591 0.452418 F\n0.728489 0.048953 0.313826 F\n0.271511 0.548953 0.186174 F\n0.271511 0.951046 0.686174 F\n0.728489 0.451046 0.813826 F\n0.297261 0.464735 0.644477 F\n0.702739 0.535265 0.355523 F\n0.702739 0.964734 0.855523 F\n0.985265 0.246591 0.047582 F\n0.957050 0.115919 0.772065 F\n0.042950 0.615919 0.727936 F\n0.297261 0.035265 0.144477 F\n0.985265 0.253408 0.547582 F\n0.474442 0.173893 0.375810 F\n0.525559 0.826106 0.624190 F\n0.474441 0.326107 0.875810 F\n0.042951 0.884080 0.227936 F\n0.525559 0.673893 0.124190 F\n0.702280 0.427782 0.588395 F\n0.297720 0.927782 0.911605 F\n0.297720 0.572217 0.411605 F\n0.702280 0.072217 0.088395 F\n0.755526 0.591756 0.043736 F\n0.244475 0.091756 0.456265 F\n0.244475 0.408243 0.956265 F\n0.755526 0.908243 0.543736 F\n0.014735 0.753408 0.952418 F\n0.957050 0.384081 0.272065 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"F"
],
"chemical_system": "F-Sn-Tl",
"density": 5.9510411312602445,
"density_atomic": 0.07072017308268277,
"volume": 509.0485278918995,
"volume_molar": 8.515449690655014,
"formula_full": "Tl4 Sn4 F28",
"formula_reduced": "TlSnF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-120181",
"created_at": "2022-09-04T14:38:52.543718Z",
"updated_at": "2022-09-04T14:38:52.543735Z",
"structure_string": "Tl1 Sn1 F3\n1.0\n4.515281 0.139857 -0.030511\n0.426564 4.531377 0.049706\n0.765683 0.850021 4.866033\nTl Sn F\n1 1 3\ndirect\n0.028040 0.011646 0.967842 Tl\n0.515859 0.528856 0.461565 Sn\n-0.006952 0.448748 0.542868 F\n0.408845 0.464415 0.895100 F\n0.554201 0.036337 0.572620 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"F"
],
"chemical_system": "F-Sn-Tl",
"density": 6.363686036964445,
"density_atomic": 0.05041327495090642,
"volume": 99.18022593987621,
"volume_molar": 11.945545624370757,
"formula_full": "Tl1 Sn1 F3",
"formula_reduced": "TlSnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0032639999999999,
"spacegroup": 1
},
{
"id": "jvasp-120182",
"created_at": "2022-09-04T14:38:52.330476Z",
"updated_at": "2022-09-04T14:38:52.330503Z",
"structure_string": "Tl1 Sn1 F3\n1.0\n4.480290 0.058478 0.121244\n-0.145290 5.138800 -0.307236\n-0.092435 -0.604025 4.440095\nTl Sn F\n1 1 3\ndirect\n0.006826 0.943486 0.012109 Tl\n0.508868 0.479639 0.457499 Sn\n0.510180 0.584972 0.980850 F\n0.012774 0.584600 0.480264 F\n0.521363 0.897302 0.569268 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"F"
],
"chemical_system": "F-Sn-Tl",
"density": 6.218129658694635,
"density_atomic": 0.04926017379601751,
"volume": 101.50187493662943,
"volume_molar": 12.22517156544597,
"formula_full": "Tl1 Sn1 F3",
"formula_reduced": "TlSnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-120180",
"created_at": "2022-09-04T14:38:52.294803Z",
"updated_at": "2022-09-04T14:38:52.294824Z",
"structure_string": "Tl1 Sn1 F1\n1.0\n3.175886 -0.000000 0.000000\n-0.000000 3.175886 -0.000000\n0.000000 -0.000000 7.972962\nTl Sn F\n1 1 1\ndirect\n0.000000 0.000000 0.700920 Tl\n0.000000 0.000000 0.266956 Sn\n0.000000 0.000000 0.005831 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"F"
],
"chemical_system": "F-Sn-Tl",
"density": 7.063860839908121,
"density_atomic": 0.037305404285244266,
"volume": 80.41730300150148,
"volume_molar": 16.14281060715375,
"formula_full": "Tl1 Sn1 F1",
"formula_reduced": "TlSnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-120179",
"created_at": "2022-09-04T14:38:44.950646Z",
"updated_at": "2022-09-04T14:38:44.950661Z",
"structure_string": "Tl1 Sn1 F1\n1.0\n5.056886 -0.000000 -0.000000\n-2.528443 4.379392 0.000000\n-0.000000 -0.000000 3.201144\nTl Sn F\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Tl\n0.333334 0.666667 0.000000 Sn\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"F"
],
"chemical_system": "F-Sn-Tl",
"density": 8.012894855579992,
"density_atomic": 0.042317408122447345,
"volume": 70.89281062108917,
"volume_molar": 14.2308828144074,
"formula_full": "Tl1 Sn1 F1",
"formula_reduced": "TlSnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.08879,
"spacegroup": 187
},
{
"id": "jvasp-122619",
"created_at": "2022-09-04T14:38:54.873964Z",
"updated_at": "2022-09-04T14:38:54.873981Z",
"structure_string": "Tl1 Sn7\n1.0\n6.662722 0.000000 0.000000\n0.000000 6.662722 0.000000\n-0.000000 -0.000000 6.662722\nTl Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Tl\n0.250470 0.250470 0.750469 Sn\n0.000000 0.500000 0.000000 Sn\n0.250470 0.749530 0.249530 Sn\n0.500000 0.000000 0.000000 Sn\n0.749530 0.250470 0.249530 Sn\n0.500000 0.500000 0.500000 Sn\n0.749530 0.749530 0.750469 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Sn"
],
"chemical_system": "Sn-Tl",
"density": 5.8127626639527,
"density_atomic": 0.027047984473622916,
"volume": 295.7706518872623,
"volume_molar": 22.264656229275666,
"formula_full": "Tl1 Sn7",
"formula_reduced": "TlSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.40302975,
"spacegroup": 215
},
{
"id": "jvasp-56040",
"created_at": "2022-09-04T14:37:16.449463Z",
"updated_at": "2022-09-04T14:37:16.449491Z",
"structure_string": "Tl2 Sn4 Br10\n1.0\n7.461871 0.000000 -3.753848\n-1.888451 7.218954 -3.753848\n-0.021749 -0.028170 9.250020\nTl Sn Br\n2 4 10\ndirect\n0.250000 0.250000 0.500000 Tl\n0.750000 0.750000 0.499999 Tl\n0.671390 0.828609 -0.000001 Sn\n0.828609 0.328610 -0.000000 Sn\n0.171389 0.671390 -0.000000 Sn\n0.328610 0.171389 -0.000000 Sn\n0.018321 0.203035 0.721356 Br\n0.203035 0.703035 0.721355 Br\n0.500000 0.500000 -0.000000 Br\n0.518321 0.018322 0.721356 Br\n0.981678 0.796964 0.278643 Br\n0.703035 0.518321 0.721355 Br\n0.796965 0.296965 0.278644 Br\n0.481678 0.981678 0.278644 Br\n0.000000 0.000000 0.000000 Br\n0.296965 0.481678 0.278644 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"Br"
],
"chemical_system": "Br-Sn-Tl",
"density": 5.625420823873233,
"density_atomic": 0.03221313475788151,
"volume": 496.6918035223293,
"volume_molar": 18.694674719685814,
"formula_full": "Tl2 Sn4 Br10",
"formula_reduced": "TlSn2Br5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 140
}
]
}