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=391",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=389",
"results": [
{
"id": "jvasp-14851",
"created_at": "2022-09-04T14:35:45.771836Z",
"updated_at": "2022-09-04T14:35:45.771864Z",
"structure_string": "Th2 Al2\n1.0\n4.215055 0.000000 0.000000\n0.000000 4.160098 -1.605906\n-0.000000 -0.008107 6.170313\nTh Al\n2 2\ndirect\n0.749999 0.145489 0.290980 Th\n0.250000 0.854510 0.709019 Th\n0.749999 0.429208 0.858415 Al\n0.250000 0.570792 0.141584 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Al"
],
"chemical_system": "Al-Th",
"density": 7.9545944335177206,
"density_atomic": 0.036988465461941816,
"volume": 108.14182070125837,
"volume_molar": 16.281131657641495,
"formula_full": "Th2 Al2",
"formula_reduced": "ThAl",
"formula_anonymous": "AB",
"energy_above_hull": 1.5123742,
"spacegroup": 63
},
{
"id": "jvasp-93933",
"created_at": "2022-09-04T14:35:45.860979Z",
"updated_at": "2022-09-04T14:35:45.861009Z",
"structure_string": "Th4 Al2\n1.0\n5.103094 0.000000 2.776920\n2.551547 5.439919 1.388460\n-0.048616 -0.000000 6.166731\nTh Al\n4 2\ndirect\n0.158150 0.500000 0.183699 Th\n0.341849 0.816301 0.500000 Th\n0.658149 0.183699 0.500000 Th\n0.841849 0.500000 0.816301 Th\n0.250000 0.000000 0.000000 Al\n0.749999 0.000000 0.000000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Al"
],
"chemical_system": "Al-Th",
"density": 9.485745135901475,
"density_atomic": 0.03489885033327022,
"volume": 171.9254342966136,
"volume_molar": 17.255986092638977,
"formula_full": "Th4 Al2",
"formula_reduced": "Th2Al",
"formula_anonymous": "AB2",
"energy_above_hull": 2.414788,
"spacegroup": 140
},
{
"id": "jvasp-91783",
"created_at": "2022-09-04T14:35:47.648220Z",
"updated_at": "2022-09-04T14:35:47.648234Z",
"structure_string": "Th2 Al6\n1.0\n6.556572 -0.000000 -0.000000\n-3.278286 5.678158 0.000000\n-0.000000 -0.000000 4.642485\nTh Al\n2 6\ndirect\n0.333333 0.666667 0.250000 Th\n0.666667 0.333333 0.750001 Th\n0.859423 0.718848 0.250000 Al\n0.140576 0.859424 0.750001 Al\n0.718847 0.859424 0.750001 Al\n0.281152 0.140576 0.250000 Al\n0.859423 0.140576 0.250000 Al\n0.140576 0.281153 0.750001 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Al"
],
"chemical_system": "Al-Th",
"density": 6.014015947376784,
"density_atomic": 0.046286588211862496,
"volume": 172.83624283091427,
"volume_molar": 13.010552284466332,
"formula_full": "Th2 Al6",
"formula_reduced": "ThAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.0023885000000003,
"spacegroup": 194
},
{
"id": "jvasp-61986",
"created_at": "2022-09-04T14:36:00.103792Z",
"updated_at": "2022-09-04T14:36:00.103820Z",
"structure_string": "Th2 Al6\n1.0\n3.278474 -5.678483 0.000000\n3.278474 5.678483 -0.000000\n-0.000000 0.000000 4.641502\nTh Al\n2 6\ndirect\n0.666666 0.333333 0.250000 Th\n0.333333 0.666666 0.750000 Th\n0.140594 0.859405 0.250000 Al\n0.140594 0.281189 0.250000 Al\n0.718810 0.859405 0.250000 Al\n0.859405 0.140594 0.750000 Al\n0.859405 0.718810 0.750000 Al\n0.281189 0.140594 0.750000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Al"
],
"chemical_system": "Al-Th",
"density": 6.014600428906399,
"density_atomic": 0.04629108664620577,
"volume": 172.8194471031221,
"volume_molar": 13.009287956504693,
"formula_full": "Th2 Al6",
"formula_reduced": "ThAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.0023860000000004,
"spacegroup": 194
},
{
"id": "jvasp-18932",
"created_at": "2022-09-04T14:36:47.073767Z",
"updated_at": "2022-09-04T14:36:47.073793Z",
"structure_string": "Th1 Al2\n1.0\n2.209596 -3.827133 0.000000\n2.209596 3.827133 0.000000\n-0.000000 -0.000000 4.202326\nTh Al\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333334 0.666668 0.500000 Al\n0.666668 0.333334 0.500000 Al\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Al"
],
"chemical_system": "Al-Th",
"density": 6.682064931267281,
"density_atomic": 0.04220997439879147,
"volume": 71.07324850890917,
"volume_molar": 14.267103559703704,
"formula_full": "Th1 Al2",
"formula_reduced": "ThAl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8358937333333332,
"spacegroup": 191
},
{
"id": "jvasp-63190",
"created_at": "2022-09-04T14:36:18.114141Z",
"updated_at": "2022-09-04T14:36:18.114167Z",
"structure_string": "Th2 Al6\n1.0\n3.278468 -5.678473 -0.000000\n3.278468 5.678473 -0.000000\n-0.000000 -0.000000 4.641514\nTh Al\n2 6\ndirect\n0.666667 0.333333 0.250000 Th\n0.333333 0.666667 0.749999 Th\n0.140595 0.859405 0.250000 Al\n0.140595 0.281190 0.250000 Al\n0.718811 0.859406 0.250000 Al\n0.859405 0.140595 0.749999 Al\n0.859406 0.718811 0.749999 Al\n0.281190 0.140595 0.749999 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Al"
],
"chemical_system": "Al-Th",
"density": 6.014606478334589,
"density_atomic": 0.04629113320534263,
"volume": 172.81927328313256,
"volume_molar": 13.009274871899146,
"formula_full": "Th2 Al6",
"formula_reduced": "ThAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.0023860000000004,
"spacegroup": 194
},
{
"id": "jvasp-57690",
"created_at": "2022-09-04T14:37:11.673229Z",
"updated_at": "2022-09-04T14:37:11.673249Z",
"structure_string": "Th6 Al4\n1.0\n8.124727 0.000000 -0.000000\n0.000000 8.124727 0.000000\n-0.000000 -0.000000 4.288751\nTh Al\n6 4\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.000000 Th\n0.677620 0.177620 0.500000 Th\n0.177620 0.322380 0.500000 Th\n0.822381 0.677620 0.500000 Th\n0.322380 0.822381 0.500000 Th\n0.883375 0.383375 0.000000 Al\n0.383375 0.116626 0.000000 Al\n0.616626 0.883375 0.000000 Al\n0.116626 0.616626 0.000000 Al\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Th",
"Al"
],
"chemical_system": "Al-Th",
"density": 8.799068611599035,
"density_atomic": 0.03532251461140495,
"volume": 283.1055520823876,
"volume_molar": 17.04901484577649,
"formula_full": "Th6 Al4",
"formula_reduced": "Th3Al2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.8270024800000004,
"spacegroup": 127
},
{
"id": "jvasp-106717",
"created_at": "2022-09-04T14:36:57.958189Z",
"updated_at": "2022-09-04T14:36:57.958215Z",
"structure_string": "Th1 U1 Al6\n1.0\n6.406247 -0.000000 0.000000\n-3.203124 5.547972 0.000000\n-0.000000 0.000000 4.614377\nTh U Al\n1 1 6\ndirect\n0.666667 0.333333 -0.000000 Th\n0.000000 0.000000 0.500000 U\n0.185900 0.814100 -0.000000 Al\n0.185900 0.371800 -0.000000 Al\n0.628200 0.814100 -0.000000 Al\n0.475857 0.524144 0.500000 Al\n0.475857 0.951711 0.500000 Al\n0.048289 0.524144 0.500000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Th",
"U",
"Al"
],
"chemical_system": "Al-Th-U",
"density": 6.39860150194184,
"density_atomic": 0.048779682930681696,
"volume": 164.00270603169744,
"volume_molar": 12.345592259297288,
"formula_full": "Th1 U1 Al6",
"formula_reduced": "ThUAl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.80084355,
"spacegroup": 187
},
{
"id": "jvasp-107513",
"created_at": "2022-09-04T14:36:56.717849Z",
"updated_at": "2022-09-04T14:36:56.717876Z",
"structure_string": "Ti1 Al1\n1.0\n2.872112 -0.000000 0.000000\n-1.436056 2.487322 0.000000\n-0.000000 0.000000 4.644037\nTi Al\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.500000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.746307043823187,
"density_atomic": 0.06028384462239654,
"volume": 33.17638436180568,
"volume_molar": 9.989642826732828,
"formula_full": "Ti1 Al1",
"formula_reduced": "TiAl",
"formula_anonymous": "AB",
"energy_above_hull": 1.7093255666666671,
"spacegroup": 187
},
{
"id": "jvasp-104917",
"created_at": "2022-09-04T14:36:53.833116Z",
"updated_at": "2022-09-04T14:36:53.833139Z",
"structure_string": "Ti3 Al5\n1.0\n3.911161 -0.000000 0.000000\n0.000000 4.032188 0.000000\n-0.000000 -0.000000 8.109202\nTi Al\n3 5\ndirect\n-0.000000 0.500000 0.264983 Ti\n-0.000000 0.500000 0.735017 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.241001 Al\n0.500000 0.000000 0.758999 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.6162901406142423,
"density_atomic": 0.06255548587362796,
"volume": 127.88646572358616,
"volume_molar": 9.626878723579388,
"formula_full": "Ti3 Al5",
"formula_reduced": "Ti3Al5",
"formula_anonymous": "A3B5",
"energy_above_hull": 2.848689875,
"spacegroup": 47
},
{
"id": "jvasp-20253",
"created_at": "2022-09-04T14:37:38.745892Z",
"updated_at": "2022-09-04T14:37:38.745919Z",
"structure_string": "Ti1 Al1\n1.0\n2.818767 0.000000 0.000000\n0.000000 2.818767 -0.000000\n0.000000 -0.000000 4.089149\nTi Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.8254376702576396,
"density_atomic": 0.061557178156740076,
"volume": 32.49011829144436,
"volume_molar": 9.783003283006433,
"formula_full": "Ti1 Al1",
"formula_reduced": "TiAl",
"formula_anonymous": "AB",
"energy_above_hull": 1.631300566666667,
"spacegroup": 123
},
{
"id": "jvasp-78676",
"created_at": "2022-09-04T14:37:17.849301Z",
"updated_at": "2022-09-04T14:37:17.849331Z",
"structure_string": "Ti2 Al2\n1.0\n3.985387 0.000000 -0.000000\n0.000000 3.985387 0.000000\n-0.000000 -0.000000 4.090871\nTi Al\n2 2\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.825653514669619,
"density_atomic": 0.061560651425439664,
"volume": 64.97657038026433,
"volume_molar": 9.782451323299963,
"formula_full": "Ti2 Al2",
"formula_reduced": "TiAl",
"formula_anonymous": "AB",
"energy_above_hull": 1.631260566666667,
"spacegroup": 123
}
]
}