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=3996",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3994",
"results": [
{
"id": "jvasp-57543",
"created_at": "2022-09-04T14:37:18.356120Z",
"updated_at": "2022-09-04T14:37:18.356157Z",
"structure_string": "Ti8 Cu4 S16\n1.0\n6.729506 -0.002250 10.283248\n3.064023 5.991496 10.283248\n-0.003679 -0.002250 12.289484\nTi Cu S\n8 4 16\ndirect\n0.917428 0.418525 0.917427 Ti\n0.082572 0.082572 0.581475 Ti\n0.500000 0.500000 0.500000 Ti\n0.917427 0.917428 0.418524 Ti\n0.581476 0.082572 0.082572 Ti\n0.082572 0.581476 0.082572 Ti\n0.418524 0.917428 0.917428 Ti\n0.000000 0.000000 0.000000 Ti\n0.812542 0.812543 0.812542 Cu\n0.646700 0.646701 0.646700 Cu\n0.353299 0.353300 0.353299 Cu\n0.187458 0.187458 0.187458 Cu\n0.711632 0.711633 0.711632 S\n0.288367 0.288368 0.288367 S\n0.614839 0.614840 0.138789 S\n0.201502 0.724112 0.201502 S\n0.724111 0.201502 0.201502 S\n0.385160 0.861212 0.385160 S\n0.275888 0.798498 0.798498 S\n0.201502 0.201502 0.724111 S\n0.614840 0.138789 0.614839 S\n0.138789 0.614840 0.614839 S\n0.876654 0.876655 0.876654 S\n0.798498 0.798498 0.275889 S\n0.861211 0.385161 0.385160 S\n0.385160 0.385161 0.861211 S\n0.798498 0.275889 0.798497 S\n0.123346 0.123346 0.123346 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"S"
],
"chemical_system": "Cu-S-Ti",
"density": 3.8513062736150823,
"density_atomic": 0.056462321584187604,
"volume": 495.90592831452864,
"volume_molar": 10.665768942959147,
"formula_full": "Ti8 Cu4 S16",
"formula_reduced": "Ti2CuS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.235361016666667,
"spacegroup": 166
},
{
"id": "jvasp-93419",
"created_at": "2022-09-04T14:36:33.127005Z",
"updated_at": "2022-09-04T14:36:33.127032Z",
"structure_string": "Ti2 Cu1 Sb3\n1.0\n3.817871 -0.000000 -0.000000\n0.000000 3.817871 0.000000\n-0.000000 -0.000000 8.276841\nTi Cu Sb\n2 1 3\ndirect\n0.500000 0.000000 0.263648 Ti\n0.000000 0.500000 0.736352 Ti\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.627146 Sb\n0.000000 0.500000 0.372854 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Ti",
"density": 7.219999299221643,
"density_atomic": 0.049732940462909624,
"volume": 120.6443846704529,
"volume_molar": 12.108957773150893,
"formula_full": "Ti2 Cu1 Sb3",
"formula_reduced": "Ti2CuSb3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.182949236111112,
"spacegroup": 115
},
{
"id": "jvasp-79391",
"created_at": "2022-09-04T14:37:14.794385Z",
"updated_at": "2022-09-04T14:37:14.794399Z",
"structure_string": "Ti2 Cu1 Tc1\n1.0\n0.000000 3.085712 3.085712\n3.085712 0.000000 3.085712\n3.085712 3.085712 0.000000\nTi Cu Tc\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Cu\n0.749999 0.749999 0.749999 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"Tc"
],
"chemical_system": "Cu-Tc-Ti",
"density": 7.270410968515721,
"density_atomic": 0.06807126593684736,
"volume": 58.76194521945533,
"volume_molar": 8.846817636074226,
"formula_full": "Ti2 Cu1 Tc1",
"formula_reduced": "Ti2CuTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0886796541666666,
"spacegroup": 225
},
{
"id": "jvasp-109080",
"created_at": "2022-09-04T14:37:50.048429Z",
"updated_at": "2022-09-04T14:37:50.048450Z",
"structure_string": "Ti2 Fe1 Co1\n1.0\n3.617898 -0.000000 2.088795\n1.205966 3.410987 2.088795\n-0.000000 -0.000000 4.177589\nTi Fe Co\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Ti\n0.750001 0.750001 0.749998 Ti\n0.000000 0.000000 0.000000 Fe\n0.500001 0.500000 0.499998 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Ti",
"density": 6.780539704385889,
"density_atomic": 0.07758859678925821,
"volume": 51.5539675355204,
"volume_molar": 7.761631230884354,
"formula_full": "Ti2 Fe1 Co1",
"formula_reduced": "Ti2FeCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4758207666666667,
"spacegroup": 225
},
{
"id": "jvasp-41717",
"created_at": "2022-09-04T14:37:32.553409Z",
"updated_at": "2022-09-04T14:37:32.553428Z",
"structure_string": "Ti2 Fe1 Ir1\n1.0\n-0.000000 3.048320 3.048320\n3.048320 -0.000000 3.048320\n3.048320 3.048320 0.000000\nTi Fe Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.249999 0.249999 0.249999 Fe\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Ir"
],
"chemical_system": "Fe-Ir-Ti",
"density": 10.077162335212067,
"density_atomic": 0.07060709265377046,
"volume": 56.65153244043674,
"volume_molar": 8.529087565650409,
"formula_full": "Ti2 Fe1 Ir1",
"formula_reduced": "Ti2FeIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.748350816666667,
"spacegroup": 225
},
{
"id": "jvasp-105376",
"created_at": "2022-09-04T14:36:56.122152Z",
"updated_at": "2022-09-04T14:36:56.122172Z",
"structure_string": "Ti2 Fe1 Ni1 Sb2\n1.0\n4.014634 -0.001945 5.972276\n1.819311 3.578743 5.972276\n-0.003173 -0.001945 7.196205\nTi Fe Ni Sb\n2 1 1 2\ndirect\n0.371894 0.371893 0.371895 Ti\n0.878859 0.878855 0.878860 Ti\n0.997102 0.997098 0.997104 Fe\n0.501092 0.501089 0.501092 Ni\n0.123633 0.123633 0.123633 Sb\n0.627424 0.627421 0.627425 Sb\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"Ni",
"Sb"
],
"chemical_system": "Fe-Ni-Sb-Ti",
"density": 7.279934987629389,
"density_atomic": 0.05796588030249533,
"volume": 103.50916726682938,
"volume_molar": 10.389112920520516,
"formula_full": "Ti2 Fe1 Ni1 Sb2",
"formula_reduced": "Ti2FeNiSb2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.738902794444445,
"spacegroup": 160
},
{
"id": "jvasp-100240",
"created_at": "2022-09-04T14:36:35.606511Z",
"updated_at": "2022-09-04T14:36:35.606526Z",
"structure_string": "Ti2 Fe1 Os1\n1.0\n3.714314 0.000000 2.144460\n1.238104 3.501889 2.144460\n-0.000000 -0.000000 4.288920\nTi Fe Os\n2 1 1\ndirect\n0.749998 0.750000 0.750001 Ti\n0.249999 0.250000 0.250000 Ti\n0.499999 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Os"
],
"chemical_system": "Fe-Os-Ti",
"density": 10.17427927185294,
"density_atomic": 0.0717019644629868,
"volume": 55.78647712037006,
"volume_molar": 8.398850443084699,
"formula_full": "Ti2 Fe1 Os1",
"formula_reduced": "Ti2FeOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.104506791666666,
"spacegroup": 225
},
{
"id": "jvasp-98267",
"created_at": "2022-09-04T14:35:57.224855Z",
"updated_at": "2022-09-04T14:35:57.224872Z",
"structure_string": "Ti4 Fe2 P4 O20\n1.0\n6.404351 0.000000 -3.746255\n0.000000 7.385530 0.000000\n-0.062486 0.000000 7.470781\nTi Fe P O\n4 2 4 20\ndirect\n0.977573 0.273298 0.717060 Ti\n0.022426 0.726701 0.282940 Ti\n0.477574 0.226701 0.217060 Ti\n0.522425 0.773298 0.782940 Ti\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.748156 0.373425 -0.000840 P\n0.248156 0.126575 0.499159 P\n0.251844 0.626575 0.000841 P\n0.751844 0.873425 0.500841 P\n0.909324 -0.001564 0.680927 O\n0.845834 0.244763 0.908673 O\n0.920415 0.488551 0.175586 O\n0.590675 0.498436 0.819073 O\n0.272144 0.661831 0.496731 O\n0.579585 0.988551 0.324415 O\n0.864829 0.757373 0.418448 O\n0.227856 0.161831 0.003269 O\n0.345834 0.255237 0.408673 O\n0.409324 0.501564 0.180927 O\n0.079584 0.511449 0.824415 O\n0.772144 0.838169 0.996731 O\n0.654165 0.744763 0.591327 O\n0.090676 0.001564 0.319073 O\n0.135171 0.242627 0.581552 O\n0.727855 0.338169 0.503269 O\n0.635171 0.257373 0.081553 O\n0.364828 0.742627 0.918448 O\n0.154166 0.755237 0.091327 O\n0.420415 0.011449 0.675585 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Ti",
"density": 3.527774408393434,
"density_atomic": 0.08531560931393177,
"volume": 351.63553587961184,
"volume_molar": 7.058662310950178,
"formula_full": "Ti4 Fe2 P4 O20",
"formula_reduced": "Ti2Fe(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 3.237647877777778,
"spacegroup": 14
},
{
"id": "jvasp-101028",
"created_at": "2022-09-04T14:36:45.961648Z",
"updated_at": "2022-09-04T14:36:45.961677Z",
"structure_string": "Ti2 Fe1 Ru1\n1.0\n3.692787 -0.000000 2.132032\n1.230929 3.481593 2.132032\n-0.000000 -0.000000 4.264064\nTi Fe Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750001 0.749999 0.749999 Ti\n0.500001 0.500000 0.499999 Fe\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Ru"
],
"chemical_system": "Fe-Ru-Ti",
"density": 7.652629857101323,
"density_atomic": 0.07296322439363531,
"volume": 54.822138594370095,
"volume_molar": 8.25366588448813,
"formula_full": "Ti2 Fe1 Ru1",
"formula_reduced": "Ti2FeRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.738835666666666,
"spacegroup": 225
},
{
"id": "jvasp-8220",
"created_at": "2022-09-04T14:38:15.683999Z",
"updated_at": "2022-09-04T14:38:15.684013Z",
"structure_string": "Ti2 Fe1 S4\n1.0\n3.260489 0.000000 -0.865834\n-0.695225 5.253664 -2.618023\n0.012772 -0.003245 6.620062\nTi Fe S\n2 1 4\ndirect\n0.255698 0.245633 0.511398 Ti\n0.744300 0.754367 0.488603 Ti\n0.000000 0.000000 0.000000 Fe\n0.882272 0.209210 0.764545 S\n0.117727 0.790790 0.235456 S\n0.376485 0.710146 0.752975 S\n0.623513 0.289854 0.247026 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"S"
],
"chemical_system": "Fe-S-Ti",
"density": 4.096767562126546,
"density_atomic": 0.06171376273520772,
"volume": 113.42688712782859,
"volume_molar": 9.758181146463082,
"formula_full": "Ti2 Fe1 S4",
"formula_reduced": "Ti2FeS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.865254595238095,
"spacegroup": 12
},
{
"id": "jvasp-8078",
"created_at": "2022-09-04T14:37:05.844266Z",
"updated_at": "2022-09-04T14:37:05.844278Z",
"structure_string": "Ti2 Fe1 Se4\n1.0\n3.452549 0.000000 -0.921235\n-0.746120 5.547026 -2.796269\n0.011214 -0.011445 6.972276\nTi Fe Se\n2 1 4\ndirect\n0.749344 0.731448 0.498689 Ti\n0.250655 0.268552 0.501312 Ti\n0.000000 0.000000 0.000000 Fe\n0.624498 0.954191 0.248997 Se\n0.375501 0.045809 0.751004 Se\n0.883503 0.548595 0.767010 Se\n0.116496 0.451405 0.232991 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Se"
],
"chemical_system": "Fe-Se-Ti",
"density": 5.8153982222042195,
"density_atomic": 0.05244716769572716,
"volume": 133.4676457766143,
"volume_molar": 11.482299282465583,
"formula_full": "Ti2 Fe1 Se4",
"formula_reduced": "Ti2FeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.581625090476191,
"spacegroup": 12
},
{
"id": "jvasp-103318",
"created_at": "2022-09-04T14:36:39.006430Z",
"updated_at": "2022-09-04T14:36:39.006450Z",
"structure_string": "Ti2 Fe1 Tc1\n1.0\n3.709374 0.000000 2.141608\n1.236458 3.497232 2.141608\n-0.000000 -0.000000 4.283217\nTi Fe Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750001 Ti\n0.500000 0.500000 0.500001 Fe\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Tc"
],
"chemical_system": "Fe-Tc-Ti",
"density": 7.458680310197255,
"density_atomic": 0.07198878547853908,
"volume": 55.56421008370059,
"volume_molar": 8.365387358556408,
"formula_full": "Ti2 Fe1 Tc1",
"formula_reduced": "Ti2FeTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.010715916666667,
"spacegroup": 225
}
]
}