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=id&page=649",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=647",
"results": [
{
"id": "jvasp-110965",
"created_at": "2022-09-04T14:38:45.601005Z",
"updated_at": "2022-09-04T14:38:45.601042Z",
"structure_string": "V4 Ir1\n1.0\n10.296966 -0.011601 1.823742\n9.997698 2.463399 0.851982\n0.000257 -0.002130 2.675724\nV Ir\n4 1\ndirect\n0.396447 0.396447 0.603551 V\n0.799567 0.799568 0.200431 V\n0.200433 0.200433 0.799565 V\n0.603553 0.603554 0.396445 V\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 5,
"nelements": 2,
"elements": [
"V",
"Ir"
],
"chemical_system": "Ir-V",
"density": 9.647055024729543,
"density_atomic": 0.07335658765460046,
"volume": 68.16020428243614,
"volume_molar": 8.209406888383704,
"formula_full": "V4 Ir1",
"formula_reduced": "V4Ir",
"formula_anonymous": "AB4",
"energy_above_hull": 4.666061579999999,
"spacegroup": 69
},
{
"id": "jvasp-110966",
"created_at": "2022-09-04T14:38:39.365512Z",
"updated_at": "2022-09-04T14:38:39.365541Z",
"structure_string": "Tm2 Al2 Cu2\n1.0\n4.634483 -0.025901 -2.571037\n-1.612808 4.326935 -2.601118\n0.036214 0.025901 5.299750\nTm Al Cu\n2 2 2\ndirect\n0.127768 0.877769 0.250000 Tm\n0.872231 0.122232 0.749999 Tm\n-0.000000 0.500000 0.500000 Al\n0.500000 0.500001 -0.000000 Al\n0.500000 0.000000 -0.000000 Cu\n0.499999 0.500001 0.499999 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Tm",
"density": 8.062244404998774,
"density_atomic": 0.05613772079373504,
"volume": 106.88000715322235,
"volume_molar": 10.727440791775196,
"formula_full": "Tm2 Al2 Cu2",
"formula_reduced": "TmAlCu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6331758333333332,
"spacegroup": 74
},
{
"id": "jvasp-110967",
"created_at": "2022-09-04T14:38:48.685380Z",
"updated_at": "2022-09-04T14:38:48.685395Z",
"structure_string": "Tl2 Cu2 Sn1 Te4\n1.0\n6.810576 -0.031379 5.122545\n4.048096 5.482164 1.856029\n-0.004087 0.008157 6.978574\nTl Cu Sn Te\n2 2 1 4\ndirect\n0.499067 0.000933 0.000933 Tl\n0.999068 0.500933 0.500933 Tl\n0.515448 0.484553 0.703349 Cu\n0.296652 0.703349 0.484552 Cu\n0.990118 0.009882 0.009883 Sn\n0.930807 0.069193 0.440402 Te\n0.559599 0.440401 0.069193 Te\n0.431526 0.918279 0.568474 Te\n0.081721 0.568475 0.918279 Te\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Tl",
"Cu",
"Sn",
"Te"
],
"chemical_system": "Cu-Sn-Te-Tl",
"density": 7.394096034257985,
"density_atomic": 0.03440046230772456,
"volume": 261.62439095997456,
"volume_molar": 17.505987873447094,
"formula_full": "Tl2 Cu2 Sn1 Te4",
"formula_reduced": "Tl2Cu2SnTe4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 0.2337020962962962,
"spacegroup": 42
},
{
"id": "jvasp-110968",
"created_at": "2022-09-04T14:38:38.400464Z",
"updated_at": "2022-09-04T14:38:38.400484Z",
"structure_string": "U1 Re1 Si2 Ru1\n1.0\n3.887755 -0.020268 -4.064101\n-0.640507 3.834684 -4.064101\n0.017255 0.020268 5.624167\nU Re Si Ru\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.749999 0.499999 Re\n0.625687 0.625686 -0.000000 Si\n0.374313 0.374312 -0.000000 Si\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 5,
"nelements": 4,
"elements": [
"U",
"Re",
"Si",
"Ru"
],
"chemical_system": "Re-Ru-Si-U",
"density": 11.438020218927868,
"density_atomic": 0.05922966726048809,
"volume": 84.4171549708415,
"volume_molar": 10.167439795862824,
"formula_full": "U1 Re1 Si2 Ru1",
"formula_reduced": "UReSi2Ru",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.95529034,
"spacegroup": 119
},
{
"id": "jvasp-110970",
"created_at": "2022-09-04T14:38:38.408940Z",
"updated_at": "2022-09-04T14:38:38.408960Z",
"structure_string": "Ti1 V1 C2\n1.0\n2.871594 -0.000059 4.346263\n1.306085 2.557380 4.346263\n-0.000096 -0.000059 5.209227\nTi V C\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 V\n0.252918 0.252917 0.252918 C\n0.747082 0.747082 0.747083 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"C"
],
"chemical_system": "C-Ti-V",
"density": 5.3313891431445635,
"density_atomic": 0.1045555711677617,
"volume": 38.25716750742926,
"volume_molar": 5.759751195215934,
"formula_full": "Ti1 V1 C2",
"formula_reduced": "TiVC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.8741556333333325,
"spacegroup": 166
},
{
"id": "jvasp-110972",
"created_at": "2022-09-04T14:38:38.365813Z",
"updated_at": "2022-09-04T14:38:38.365839Z",
"structure_string": "Ti6 Pt1 Au1\n1.0\n5.058959 -0.000000 0.000000\n0.000000 5.058959 0.000000\n-0.000000 -0.000000 5.058959\nTi Pt Au\n6 1 1\ndirect\n-0.000000 0.500000 0.753038 Ti\n0.500000 0.246962 -0.000000 Ti\n0.753038 0.000000 0.500000 Ti\n-0.000000 0.500000 0.246962 Ti\n0.500000 0.753038 -0.000000 Ti\n0.246962 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Pt",
"Au"
],
"chemical_system": "Au-Pt-Ti",
"density": 8.71157957445759,
"density_atomic": 0.061788337183254,
"volume": 129.47427240634946,
"volume_molar": 9.746403665370254,
"formula_full": "Ti6 Pt1 Au1",
"formula_reduced": "Ti6PtAu",
"formula_anonymous": "ABC6",
"energy_above_hull": 3.72295862125,
"spacegroup": 200
},
{
"id": "jvasp-110973",
"created_at": "2022-09-04T14:38:38.573521Z",
"updated_at": "2022-09-04T14:38:38.573546Z",
"structure_string": "Ti2 Re1 Os1\n1.0\n3.101513 0.000000 0.000000\n0.000000 3.101513 0.000000\n-0.000000 -0.000000 6.226262\nTi Re Os\n2 1 1\ndirect\n0.499999 0.499999 0.249811 Ti\n0.499999 0.499999 0.750188 Ti\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Re",
"Os"
],
"chemical_system": "Os-Re-Ti",
"density": 13.09102957087747,
"density_atomic": 0.06678599303759916,
"volume": 59.89279814628317,
"volume_molar": 9.017071523679608,
"formula_full": "Ti2 Re1 Os1",
"formula_reduced": "Ti2ReOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.978897416666667,
"spacegroup": 123
},
{
"id": "jvasp-110974",
"created_at": "2022-09-04T14:38:46.370362Z",
"updated_at": "2022-09-04T14:38:46.370387Z",
"structure_string": "Ti4 C3 N1\n1.0\n3.017077 0.000762 9.650224\n1.474009 2.632500 9.650224\n0.001300 0.000762 10.110865\nTi C N\n4 3 1\ndirect\n0.874700 0.874697 0.874697 Ti\n0.125302 0.125301 0.125301 Ti\n0.375663 0.375662 0.375662 Ti\n0.624339 0.624337 0.624337 Ti\n0.251118 0.251118 0.251117 C\n0.500001 0.499999 0.499999 C\n0.748884 0.748881 0.748881 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"C",
"N"
],
"chemical_system": "C-N-Ti",
"density": 4.99731600553167,
"density_atomic": 0.09968925237024445,
"volume": 80.24937302456753,
"volume_molar": 6.0409127531961575,
"formula_full": "Ti4 C3 N1",
"formula_reduced": "Ti4C3N",
"formula_anonymous": "AB3C4",
"energy_above_hull": 5.465402072916667,
"spacegroup": 166
},
{
"id": "jvasp-110975",
"created_at": "2022-09-04T14:38:38.430729Z",
"updated_at": "2022-09-04T14:38:38.430757Z",
"structure_string": "Ti1 Si6 Mo2\n1.0\n4.706926 -0.006391 0.000000\n-2.327847 4.091006 0.000000\n0.000000 0.000000 6.503185\nTi Si Mo\n1 6 2\ndirect\n0.500000 0.500001 0.500000 Ti\n0.157145 0.842856 0.500000 Si\n0.161575 0.327023 0.168110 Si\n0.672977 0.838426 0.831891 Si\n0.842856 0.157145 0.500000 Si\n0.838425 0.672978 0.168110 Si\n0.327023 0.161576 0.831891 Si\n0.500000 0.000000 0.168225 Mo\n-0.000000 0.500001 0.831776 Mo\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Mo"
],
"chemical_system": "Mo-Si-Ti",
"density": 5.417862754289876,
"density_atomic": 0.07192577994996607,
"volume": 125.12898721794458,
"volume_molar": 8.372715268696702,
"formula_full": "Ti1 Si6 Mo2",
"formula_reduced": "Ti(Si3Mo)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.50789685925926,
"spacegroup": 21
},
{
"id": "jvasp-110976",
"created_at": "2022-09-04T14:38:37.866365Z",
"updated_at": "2022-09-04T14:38:37.866393Z",
"structure_string": "Ti1 Fe3 O6\n1.0\n4.353595 0.080039 3.087593\n1.638488 4.034297 3.087593\n0.116568 0.080039 5.336050\nTi Fe O\n1 3 6\ndirect\n0.152047 0.152048 0.152047 Ti\n0.656586 0.656587 0.656585 Fe\n0.341014 0.341015 0.341014 Fe\n0.847333 0.847335 0.847333 Fe\n0.742459 0.064622 0.439292 O\n0.439292 0.742460 0.064621 O\n0.064622 0.439293 0.742458 O\n0.256561 0.929780 0.570304 O\n0.570305 0.256561 0.929779 O\n0.929778 0.570306 0.256560 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 5.686873664681698,
"density_atomic": 0.10997857954596209,
"volume": 90.92679721164079,
"volume_molar": 5.475739716644763,
"formula_full": "Ti1 Fe3 O6",
"formula_reduced": "Ti(FeO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.236229583333333,
"spacegroup": 146
},
{
"id": "jvasp-110977",
"created_at": "2022-09-04T14:38:37.845262Z",
"updated_at": "2022-09-04T14:38:37.845283Z",
"structure_string": "Ti4 In2 Co1 Ni1\n1.0\n4.329031 -0.000380 6.520526\n1.967171 3.856261 6.520526\n-0.000621 -0.000380 7.826734\nTi In Co Ni\n4 2 1 1\ndirect\n0.124481 0.124481 0.124481 Ti\n0.625366 0.625366 0.625367 Ti\n0.374633 0.374633 0.374634 Ti\n0.875519 0.875519 0.875520 Ti\n0.750122 0.750123 0.750124 In\n0.249877 0.249877 0.249878 In\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500001 Ni\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"In",
"Co",
"Ni"
],
"chemical_system": "Co-In-Ni-Ti",
"density": 6.845296285092825,
"density_atomic": 0.061215513905580186,
"volume": 130.68582602017082,
"volume_molar": 9.83760549537924,
"formula_full": "Ti4 In2 Co1 Ni1",
"formula_reduced": "Ti4In2CoNi",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.7060758216666665,
"spacegroup": 166
},
{
"id": "jvasp-110978",
"created_at": "2022-09-04T14:38:39.611609Z",
"updated_at": "2022-09-04T14:38:39.611635Z",
"structure_string": "Th1 Fe2 Co3\n1.0\n5.032081 -0.119471 0.000000\n-2.604273 4.307420 0.000000\n-0.000000 -0.000000 4.035531\nTh Fe Co\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Co\n0.688018 0.311982 -0.000000 Co\n0.311983 0.688018 -0.000000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Th",
"density": 10.025512101274906,
"density_atomic": 0.06959289751362795,
"volume": 86.21569462350747,
"volume_molar": 8.653384145732288,
"formula_full": "Th1 Fe2 Co3",
"formula_reduced": "ThFe2Co3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.688148216666667,
"spacegroup": 65
}
]
}