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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=918",
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{
"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",
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"elements": [
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"density": 5.994752674579191,
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"volume": 34.46465680876288,
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"formula_full": "Cd1 C1",
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"spacegroup": 216
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{
"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,
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"elements": [
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"density": 7.264470188306181,
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"volume": 28.44076556544569,
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"formula_full": "Cd1 C1",
"formula_reduced": "CdC",
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"spacegroup": 225
},
{
"id": "jvasp-120927",
"created_at": "2022-09-04T14:38:54.389684Z",
"updated_at": "2022-09-04T14:38:54.389712Z",
"structure_string": "Cd1 C2 N1\n1.0\n2.671776 0.000000 -0.000000\n0.000000 2.671776 0.000000\n0.000000 -0.000000 5.285827\nCd C N\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Cd\n0.000000 0.500001 0.165098 C\n0.500001 0.000000 -0.165098 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
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"elements": [
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"C",
"N"
],
"chemical_system": "C-Cd-N",
"density": 6.620591473214895,
"density_atomic": 0.10601003005185257,
"volume": 37.732278710264346,
"volume_molar": 5.680727339719079,
"formula_full": "Cd1 C2 N1",
"formula_reduced": "CdC2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.297293250000001,
"spacegroup": 115
},
{
"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,
"nelements": 2,
"elements": [
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl",
"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
},
{
"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,
"nelements": 2,
"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-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-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"
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"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-93797",
"created_at": "2022-09-04T14:36:06.394112Z",
"updated_at": "2022-09-04T14:36:06.394137Z",
"structure_string": "Cd2 Cl2 O2\n1.0\n-1.883666 -3.262557 0.000000\n-1.883666 3.262557 0.000000\n0.000000 0.000000 -9.336320\nCd Cl O\n2 2 2\ndirect\n0.333400 0.666602 0.479043 Cd\n0.666602 0.333400 0.979043 Cd\n0.333284 0.666718 0.165043 Cl\n0.666718 0.333284 0.665043 Cl\n0.000054 -0.000054 0.418913 O\n-0.000054 0.000054 0.918913 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Cd-Cl-O",
"density": 4.742346950238027,
"density_atomic": 0.05228577133812588,
"volume": 114.75397314498262,
"volume_molar": 11.517742984139087,
"formula_full": "Cd2 Cl2 O2",
"formula_reduced": "CdClO",
"formula_anonymous": "ABC",
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"spacegroup": 186
},
{
"id": "jvasp-120924",
"created_at": "2022-09-04T14:38:53.366210Z",
"updated_at": "2022-09-04T14:38:53.366229Z",
"structure_string": "Cd1 C1 N1\n1.0\n3.907731 0.000000 -0.000000\n-1.953865 3.384194 0.000000\n-0.000000 -0.000000 3.243200\nCd C N\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"C",
"N"
],
"chemical_system": "C-Cd-N",
"density": 5.3594553115646315,
"density_atomic": 0.06994676156263936,
"volume": 42.88976262772956,
"volume_molar": 8.609606256905831,
"formula_full": "Cd1 C1 N1",
"formula_reduced": "CdCN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.645877666666666,
"spacegroup": 187
},
{
"id": "jvasp-29281",
"created_at": "2022-09-04T14:38:04.489163Z",
"updated_at": "2022-09-04T14:38:04.489188Z",
"structure_string": "Cd2 C4 N4\n1.0\n4.390437 -0.000000 -0.000000\n-0.000000 7.154510 -0.000000\n0.000000 -0.000000 7.154510\nCd C N\n2 4 4\ndirect\n0.309137 0.250000 0.250000 Cd\n0.809137 0.750000 0.750000 Cd\n0.460205 0.045720 0.454280 C\n0.460205 0.454280 0.045720 C\n0.960205 0.954280 0.954280 C\n0.960205 0.545720 0.545720 C\n0.010226 0.067293 0.067293 N\n0.010226 0.432707 0.432707 N\n0.510226 0.567293 0.932707 N\n0.510226 0.932707 0.567293 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"C",
"N"
],
"chemical_system": "C-Cd-N",
"density": 2.4301570406257693,
"density_atomic": 0.044497177102154256,
"volume": 224.73335728786864,
"volume_molar": 13.533759110549168,
"formula_full": "Cd2 C4 N4",
"formula_reduced": "Cd(CN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.4336132500000005,
"spacegroup": 102
},
{
"id": "jvasp-29288",
"created_at": "2022-09-04T14:37:54.659071Z",
"updated_at": "2022-09-04T14:37:54.659094Z",
"structure_string": "Cd2 C4 N4\n1.0\n6.422515 -0.000000 -0.000000\n0.000000 6.422515 -0.000000\n-0.000000 -0.000000 6.422515\nCd C N\n2 4 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.199535 0.800465 0.800465 C\n0.800465 0.800465 0.199535 C\n0.199535 0.199535 0.199535 C\n0.800465 0.199535 0.800465 C\n0.695894 0.695894 0.304106 N\n0.304106 0.695894 0.695894 N\n0.304106 0.304106 0.304106 N\n0.695894 0.304106 0.695894 N\n",
"nsites": 10,
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"elements": [
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"C",
"N"
],
"chemical_system": "C-Cd-N",
"density": 2.061514991239832,
"density_atomic": 0.03774718922704837,
"volume": 264.92038757774145,
"volume_molar": 15.953878641869146,
"formula_full": "Cd2 C4 N4",
"formula_reduced": "Cd(CN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.43618325,
"spacegroup": 215
},
{
"id": "jvasp-120925",
"created_at": "2022-09-04T14:38:49.724629Z",
"updated_at": "2022-09-04T14:38:49.724663Z",
"structure_string": "Cd1 C1 N2\n1.0\n2.931557 0.000000 0.000000\n0.000000 2.931557 0.000000\n0.000000 0.000000 5.183259\nCd C N\n1 1 2\ndirect\n0.500001 0.500001 0.434446 Cd\n0.000000 0.000000 0.897628 C\n0.000000 0.000000 0.657925 N\n0.500001 0.500001 0.020001 N\n",
"nsites": 4,
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"density": 5.682435061285107,
"density_atomic": 0.08979670380494777,
"volume": 44.545064913391634,
"volume_molar": 6.706416276794541,
"formula_full": "Cd1 C1 N2",
"formula_reduced": "CdCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9568790625,
"spacegroup": 99
}
]
}