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=elements&page=3559",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3557",
"results": [
{
"id": "jvasp-108722",
"created_at": "2022-09-04T14:38:18.787630Z",
"updated_at": "2022-09-04T14:38:18.787653Z",
"structure_string": "Tl1 Bi1 S2\n1.0\n4.200624 -0.000000 0.000000\n0.000000 4.200624 0.000000\n-0.000000 -0.000000 5.872788\nTl Bi S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 -0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"S"
],
"chemical_system": "Bi-S-Tl",
"density": 7.651468611904008,
"density_atomic": 0.03860006615168443,
"volume": 103.62676541230353,
"volume_molar": 15.601374195409782,
"formula_full": "Tl1 Bi1 S2",
"formula_reduced": "TlBiS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.932459225,
"spacegroup": 123
},
{
"id": "jvasp-99909",
"created_at": "2022-09-04T14:36:31.628941Z",
"updated_at": "2022-09-04T14:36:31.628951Z",
"structure_string": "Tl1 Bi1 Se2\n1.0\n4.347477 0.000000 0.000000\n-0.000000 4.347477 -0.000000\n0.000000 0.000000 6.094413\nTl Bi Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"Se"
],
"chemical_system": "Bi-Se-Tl",
"density": 8.235585161392823,
"density_atomic": 0.03472590105407465,
"volume": 115.18779581187138,
"volume_molar": 17.3419280053307,
"formula_full": "Tl1 Bi1 Se2",
"formula_reduced": "TlBiSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6803434083333333,
"spacegroup": 123
},
{
"id": "jvasp-2062",
"created_at": "2022-09-04T14:37:12.608308Z",
"updated_at": "2022-09-04T14:37:12.608320Z",
"structure_string": "Tl1 Bi1 Se2\n1.0\n4.147199 0.003731 6.807207\n1.913126 3.679569 6.807207\n0.006137 0.003731 7.971028\nTl Bi Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 0.500000 Bi\n0.760183 0.760182 0.760182 Se\n0.239819 0.239818 0.239818 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"Se"
],
"chemical_system": "Bi-Se-Tl",
"density": 7.816094901458785,
"density_atomic": 0.03295709204121832,
"volume": 121.36993139435164,
"volume_molar": 18.272670272208217,
"formula_full": "Tl1 Bi1 Se2",
"formula_reduced": "TlBiSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6415684083333333,
"spacegroup": 166
},
{
"id": "jvasp-2023",
"created_at": "2022-09-04T14:35:50.857504Z",
"updated_at": "2022-09-04T14:35:50.857532Z",
"structure_string": "Tl1 Bi1 Te2\n1.0\n4.425057 0.020327 7.062144\n2.045061 3.924191 7.062144\n0.033342 0.020327 8.333901\nTl Bi Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500001 0.499999 Bi\n0.758090 0.758092 0.758089 Te\n0.241909 0.241910 0.241909 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"Te"
],
"chemical_system": "Bi-Te-Tl",
"density": 7.7575594763359526,
"density_atomic": 0.0279507338712595,
"volume": 143.10894370158283,
"volume_molar": 21.545555074646177,
"formula_full": "Tl1 Bi1 Te2",
"formula_reduced": "TlBiTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4422581083333333,
"spacegroup": 166
},
{
"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-108057",
"created_at": "2022-09-04T14:38:19.978101Z",
"updated_at": "2022-09-04T14:38:19.978132Z",
"structure_string": "Tl5 Br1 Cl4\n1.0\n13.925351 0.006386 0.000000\n-12.848950 5.368420 0.000000\n-0.000000 -0.000000 3.873117\nTl Br Cl\n5 1 4\ndirect\n0.799788 0.200213 -0.000000 Tl\n0.396405 0.603595 -0.000000 Tl\n0.000000 0.000000 0.000000 Tl\n0.603595 0.396406 -0.000000 Tl\n0.200213 0.799787 -0.000000 Tl\n0.500000 0.500000 0.500000 Br\n0.101475 0.898525 0.500000 Cl\n0.701349 0.298652 0.500000 Cl\n0.298652 0.701348 0.500000 Cl\n0.898526 0.101475 0.500000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Tl",
"density": 7.124452373789053,
"density_atomic": 0.03449930349013931,
"volume": 289.86092437658135,
"volume_molar": 17.455832874194883,
"formula_full": "Tl5 Br1 Cl4",
"formula_reduced": "Tl5BrCl4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 65
},
{
"id": "jvasp-8691",
"created_at": "2022-09-04T14:36:38.309408Z",
"updated_at": "2022-09-04T14:36:38.309430Z",
"structure_string": "Tl1 Br1 O3\n1.0\n4.455297 0.014006 0.216957\n0.207329 4.450492 0.216957\n0.014628 0.014006 4.460552\nTl Br O\n1 1 3\ndirect\n0.014353 0.014353 0.014353 Tl\n0.499829 0.499829 0.499829 Br\n0.123466 0.558177 0.558177 O\n0.558177 0.558177 0.123466 O\n0.558177 0.123466 0.558177 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Br",
"O"
],
"chemical_system": "Br-O-Tl",
"density": 6.241419357692265,
"density_atomic": 0.056557848487521684,
"volume": 88.40506019430966,
"volume_molar": 10.647754327728114,
"formula_full": "Tl1 Br1 O3",
"formula_reduced": "TlBrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.331903441,
"spacegroup": 160
},
{
"id": "jvasp-120918",
"created_at": "2022-09-04T14:38:52.643322Z",
"updated_at": "2022-09-04T14:38:52.643340Z",
"structure_string": "Tl1 Br1 O1\n1.0\n3.308780 0.000000 0.000000\n0.000000 3.308780 0.000000\n-0.000000 0.000000 5.853205\nTl Br O\n1 1 1\ndirect\n0.500001 0.500001 0.000000 Tl\n0.500001 0.500001 0.500000 Br\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Br",
"O"
],
"chemical_system": "Br-O-Tl",
"density": 7.781363004998477,
"density_atomic": 0.046815723110898405,
"volume": 64.08103518754832,
"volume_molar": 12.8635004648643,
"formula_full": "Tl1 Br1 O1",
"formula_reduced": "TlBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3704034016666669,
"spacegroup": 123
},
{
"id": "jvasp-120917",
"created_at": "2022-09-04T14:38:53.915224Z",
"updated_at": "2022-09-04T14:38:53.915249Z",
"structure_string": "Tl1 Br4 O1\n1.0\n-4.244674 4.244673 2.063918\n4.244674 -4.244673 2.063918\n4.244673 4.244674 -2.063918\nTl Br O\n1 4 1\ndirect\n-0.017685 -0.017685 -0.000000 Tl\n0.118706 0.654185 0.808656 Br\n0.845528 0.310050 0.191344 Br\n0.654184 0.845528 0.535478 Br\n0.310050 0.118706 0.464521 Br\n0.482313 0.482313 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tl",
"Br",
"O"
],
"chemical_system": "Br-O-Tl",
"density": 6.0283825195164145,
"density_atomic": 0.040337617220408614,
"volume": 148.74453211292635,
"volume_molar": 14.929341827739712,
"formula_full": "Tl1 Br4 O1",
"formula_reduced": "TlBr4O",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2731020866666669,
"spacegroup": 87
},
{
"id": "jvasp-117925",
"created_at": "2022-09-04T14:38:48.930423Z",
"updated_at": "2022-09-04T14:38:48.930466Z",
"structure_string": "Tl1 C1 N1\n1.0\n2.701540 1.559735 2.311414\n-2.701540 1.559735 2.311414\n-0.000000 -3.119470 2.311414\nTl C N\n1 1 1\ndirect\n0.979567 0.979567 0.979570 Tl\n0.567958 0.567958 0.567960 C\n0.397473 0.397473 0.397474 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"C",
"N"
],
"chemical_system": "C-N-Tl",
"density": 6.546990065578766,
"density_atomic": 0.05133694786022184,
"volume": 58.437443693931286,
"volume_molar": 11.73061705264762,
"formula_full": "Tl1 C1 N1",
"formula_reduced": "TlCN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.239535283333333,
"spacegroup": 160
},
{
"id": "jvasp-117927",
"created_at": "2022-09-04T14:38:53.211526Z",
"updated_at": "2022-09-04T14:38:53.211561Z",
"structure_string": "Tl1 C2 N1\n1.0\n3.013461 -0.000000 0.000000\n-0.000000 3.013461 0.000000\n-0.000000 -0.000000 4.822171\nTl C N\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Tl\n0.000000 0.499999 -0.156857 C\n0.499999 0.000000 0.156857 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"C",
"N"
],
"chemical_system": "C-N-Tl",
"density": 9.19238869220865,
"density_atomic": 0.09134530578057519,
"volume": 43.7898802332392,
"volume_molar": 6.592720565702703,
"formula_full": "Tl1 C2 N1",
"formula_reduced": "TlC2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.7672614625000005,
"spacegroup": 115
},
{
"id": "jvasp-117928",
"created_at": "2022-09-04T14:38:53.260351Z",
"updated_at": "2022-09-04T14:38:53.260379Z",
"structure_string": "Tl1 C1 N2\n1.0\n1.952906 1.127511 5.093349\n-1.952906 1.127511 5.093349\n-0.000000 -2.255021 5.093349\nTl C N\n1 1 2\ndirect\n0.992077 0.992077 0.992077 Tl\n0.579556 0.579556 0.579556 C\n0.418696 0.418696 0.418696 N\n0.498672 0.498672 0.498672 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"C",
"N"
],
"chemical_system": "C-N-Tl",
"density": 6.031242128381525,
"density_atomic": 0.05944335411662215,
"volume": 67.29095387437903,
"volume_molar": 10.130889902654447,
"formula_full": "Tl1 C1 N2",
"formula_reduced": "TlCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.125904775,
"spacegroup": 160
}
]
}