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{
"id": "jvasp-102922",
"created_at": "2022-09-04T14:36:42.028605Z",
"updated_at": "2022-09-04T14:36:42.028620Z",
"structure_string": "Cd1 Bi3\n1.0\n4.955130 -0.000000 0.000000\n0.000000 4.955130 -0.000000\n-0.000000 -0.000000 4.955130\nCd Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Bi-Cd",
"density": 10.091025608956535,
"density_atomic": 0.03287720069049724,
"volume": 121.66485941597067,
"volume_molar": 18.31707272371467,
"formula_full": "Cd1 Bi3",
"formula_reduced": "CdBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6258137000000001,
"spacegroup": 221
},
{
"id": "jvasp-109933",
"created_at": "2022-09-04T14:38:00.324173Z",
"updated_at": "2022-09-04T14:38:00.324200Z",
"structure_string": "Cd1 Bi3\n1.0\n4.591834 0.078345 -3.848678\n-0.950973 4.492964 -3.848678\n-0.062399 -0.078345 5.991107\nCd Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.250000 0.500000 Bi\n0.250000 0.749999 0.499999 Bi\n0.500000 0.500000 -0.000000 Bi\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Bi-Cd",
"density": 10.119953575862253,
"density_atomic": 0.03297144983923423,
"volume": 121.31707945824746,
"volume_molar": 18.26471322724177,
"formula_full": "Cd1 Bi3",
"formula_reduced": "CdBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6225712000000001,
"spacegroup": 139
},
{
"id": "jvasp-101392",
"created_at": "2022-09-04T14:36:31.838009Z",
"updated_at": "2022-09-04T14:36:31.838035Z",
"structure_string": "Cd3 Bi1\n1.0\n4.323193 0.123596 -3.811725\n-0.801717 4.250003 -3.811725\n-0.099515 -0.123596 5.762754\nCd Bi\n3 1\ndirect\n0.749999 0.250000 0.500000 Cd\n0.249999 0.749999 0.499999 Cd\n0.499999 0.500000 0.000001 Cd\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Bi"
],
"chemical_system": "Bi-Cd",
"density": 8.851127290448199,
"density_atomic": 0.03903436601604922,
"volume": 102.47380470725145,
"volume_molar": 15.42779190399547,
"formula_full": "Cd3 Bi1",
"formula_reduced": "Cd3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-22646",
"created_at": "2022-09-04T14:38:07.941510Z",
"updated_at": "2022-09-04T14:38:07.941539Z",
"structure_string": "Cd1 Br2\n1.0\n3.828856 -0.007179 5.501979\n1.720762 3.420406 5.501979\n-0.011673 -0.007179 6.703116\nCd Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750337 0.750337 0.750336 Br\n0.249664 0.249664 0.249663 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"Br"
],
"chemical_system": "Br-Cd",
"density": 5.126696865816678,
"density_atomic": 0.03402446945709318,
"volume": 88.17183773528558,
"volume_molar": 17.699440596992314,
"formula_full": "Cd1 Br2",
"formula_reduced": "CdBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001999999999999,
"spacegroup": 166
},
{
"id": "jvasp-3906",
"created_at": "2022-09-04T14:36:00.947163Z",
"updated_at": "2022-09-04T14:36:00.947186Z",
"structure_string": "Cd2 Br4\n1.0\n2.011894 -3.484702 0.000000\n2.011894 3.484702 0.000000\n0.000000 0.000000 12.547449\nCd Br\n2 4\ndirect\n0.666666 0.333332 0.124967 Cd\n0.333332 0.666666 0.624967 Cd\n0.000000 0.000000 0.250846 Br\n0.000000 0.000000 0.750846 Br\n0.333332 0.666666 -0.000813 Br\n0.666666 0.333332 0.499187 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"Br"
],
"chemical_system": "Br-Cd",
"density": 5.138559060793724,
"density_atomic": 0.03410319556500521,
"volume": 175.9365918822242,
"volume_molar": 17.658582019157127,
"formula_full": "Cd2 Br4",
"formula_reduced": "CdBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-22647",
"created_at": "2022-09-04T14:38:14.275548Z",
"updated_at": "2022-09-04T14:38:14.275575Z",
"structure_string": "Cd2 Br4\n1.0\n3.953345 -0.012291 12.132857\n1.916616 3.457699 12.132857\n-0.020940 -0.012291 12.760671\nCd Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.499999 Cd\n0.208620 0.208620 0.208619 Br\n0.791382 0.791381 0.791378 Br\n0.624730 0.624729 0.624727 Br\n0.375272 0.375272 0.375270 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"Br"
],
"chemical_system": "Br-Cd",
"density": 5.139113114456776,
"density_atomic": 0.0341068726659592,
"volume": 175.91762395701488,
"volume_molar": 17.65667822723153,
"formula_full": "Cd2 Br4",
"formula_reduced": "CdBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3333333333331804e-05,
"spacegroup": 166
},
{
"id": "jvasp-36114",
"created_at": "2022-09-04T14:37:33.891696Z",
"updated_at": "2022-09-04T14:37:33.891742Z",
"structure_string": "Cd1 C1\n1.0\n2.422723 2.422723 0.000000\n2.422723 0.000000 -2.422723\n-0.000000 2.422723 -2.422723\nCd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"C"
],
"chemical_system": "C-Cd",
"density": 7.264470188306181,
"density_atomic": 0.07032159508497599,
"volume": 28.44076556544569,
"volume_molar": 8.563714677863748,
"formula_full": "Cd1 C1",
"formula_reduced": "CdC",
"formula_anonymous": "AB",
"energy_above_hull": 2.323594875,
"spacegroup": 225
},
{
"id": "jvasp-36110",
"created_at": "2022-09-04T14:37:32.563863Z",
"updated_at": "2022-09-04T14:37:32.563892Z",
"structure_string": "Cd1 C1\n1.0\n2.582942 2.582942 -0.000000\n2.582942 0.000000 -2.582942\n0.000000 2.582942 -2.582942\nCd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.749999 0.749999 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"C"
],
"chemical_system": "C-Cd",
"density": 5.994752674579191,
"density_atomic": 0.05803046323941592,
"volume": 34.46465680876288,
"volume_molar": 10.377550727373125,
"formula_full": "Cd1 C1",
"formula_reduced": "CdC",
"formula_anonymous": "AB",
"energy_above_hull": 2.394664875,
"spacegroup": 216
},
{
"id": "jvasp-29886",
"created_at": "2022-09-04T14:37:31.073392Z",
"updated_at": "2022-09-04T14:37:31.073411Z",
"structure_string": "Cd1 Cl2\n1.0\n0.298710 3.561655 11.216591\n-2.162111 2.379147 3.999554\n-1.361020 -4.260149 -4.789507\nCd Cl\n1 2\ndirect\n0.837900 -0.001916 0.667031 Cd\n0.837293 0.214257 0.165986 Cl\n0.337665 0.781275 0.165731 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl",
"density": 3.579101622787113,
"density_atomic": 0.03527308505084139,
"volume": 85.05068370617158,
"volume_molar": 17.072906300426794,
"formula_full": "Cd1 Cl2",
"formula_reduced": "CdCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0299233333333333,
"spacegroup": 115
},
{
"id": "jvasp-110738",
"created_at": "2022-09-04T14:38:43.131300Z",
"updated_at": "2022-09-04T14:38:43.131326Z",
"structure_string": "Cd1 Cl2\n1.0\n4.058771 -0.000000 0.000000\n0.000000 4.058771 0.000000\n0.000000 0.000000 5.179633\nCd Cl\n1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n-0.000000 0.500000 0.215870 Cl\n0.500000 0.000000 0.784130 Cl\n",
"nsites": 3,
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"elements": [
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl",
"density": 3.5674981152269405,
"density_atomic": 0.035158729116812525,
"volume": 85.32731629839921,
"volume_molar": 17.128436980733404,
"formula_full": "Cd1 Cl2",
"formula_reduced": "CdCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0254633333333333,
"spacegroup": 115
},
{
"id": "jvasp-1933",
"created_at": "2022-09-04T14:36:36.030608Z",
"updated_at": "2022-09-04T14:36:36.030624Z",
"structure_string": "Cd1 Cl2\n1.0\n3.673988 -0.005572 5.035921\n1.637727 3.288779 5.035921\n-0.009016 -0.005572 6.233666\nCd Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749684 0.749686 0.749684 Cl\n0.250315 0.250316 0.250315 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"Cl"
],
"chemical_system": "Cd-Cl",
"density": 4.0273432869889145,
"density_atomic": 0.039690636719130874,
"volume": 75.58457732057498,
"volume_molar": 15.172698796986873,
"formula_full": "Cd1 Cl2",
"formula_reduced": "CdCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-30067",
"created_at": "2022-09-04T14:38:12.182415Z",
"updated_at": "2022-09-04T14:38:12.182444Z",
"structure_string": "Cd1 Cl2\n1.0\n3.646641 2.210773 10.983263\n-1.093353 0.959878 3.588606\n-3.971855 -3.629548 -4.437616\nCd Cl\n1 2\ndirect\n0.012570 0.991851 0.015096 Cd\n0.679443 0.242906 0.932403 Cl\n0.345699 0.740795 0.097774 Cl\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.048675263885083,
"density_atomic": 0.03990086954140408,
"volume": 75.18633138776535,
"volume_molar": 15.092755694837637,
"formula_full": "Cd1 Cl2",
"formula_reduced": "CdCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 6.66666666665483e-06,
"spacegroup": 164
}
]
}