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{
"id": "jvasp-20092",
"created_at": "2022-09-04T14:36:16.956402Z",
"updated_at": "2022-09-04T14:36:16.956417Z",
"structure_string": "Cd1 O1\n1.0\n2.912542 -0.000000 1.681557\n0.970847 2.745971 1.681557\n-0.000000 -0.000000 3.363113\nCd O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Cd-O",
"density": 7.9275628414611665,
"density_atomic": 0.07435674887941,
"volume": 26.897356731445484,
"volume_molar": 8.098983415434912,
"formula_full": "Cd1 O1",
"formula_reduced": "CdO",
"formula_anonymous": "AB",
"energy_above_hull": 0.0109808750000003,
"spacegroup": 225
},
{
"id": "jvasp-118011",
"created_at": "2022-09-04T14:38:54.021070Z",
"updated_at": "2022-09-04T14:38:54.021099Z",
"structure_string": "Cd1 O3\n1.0\n3.148097 0.099649 0.195998\n0.098273 -3.181126 0.019593\n0.550766 2.750221 -5.564221\nCd O\n1 3\ndirect\n0.005732 0.042292 0.015137 Cd\n0.511176 0.536581 0.011932 O\n0.091167 0.356459 0.594542 O\n0.272544 0.453217 0.437454 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
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"density": 4.75609331274595,
"density_atomic": 0.07142199676065669,
"volume": 56.00515501414024,
"volume_molar": 8.431773169519309,
"formula_full": "Cd1 O3",
"formula_reduced": "CdO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4589571875000005,
"spacegroup": 1
},
{
"id": "jvasp-118005",
"created_at": "2022-09-04T14:38:49.434110Z",
"updated_at": "2022-09-04T14:38:49.434137Z",
"structure_string": "Cd2 O2\n1.0\n4.015627 -0.458270 -0.618562\n1.181189 -6.085158 -0.153969\n1.763463 -1.848273 -2.979866\nCd O\n2 2\ndirect\n0.158520 0.895071 -0.024156 Cd\n0.840892 0.513973 0.009696 Cd\n0.401761 0.243339 0.858673 O\n0.597618 0.165714 0.126864 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 6.57140075501756,
"density_atomic": 0.0616365969590655,
"volume": 64.89650949835057,
"volume_molar": 9.770397875793602,
"formula_full": "Cd2 O2",
"formula_reduced": "CdO",
"formula_anonymous": "AB",
"energy_above_hull": 0.3698108750000003,
"spacegroup": 2
},
{
"id": "jvasp-118006",
"created_at": "2022-09-04T14:38:53.842471Z",
"updated_at": "2022-09-04T14:38:53.842506Z",
"structure_string": "Cd1 O2\n1.0\n3.561356 0.000000 0.000000\n0.000000 3.322274 0.000000\n0.000000 0.000000 4.017938\nCd O\n1 2\ndirect\n0.466664 0.000000 0.000000 Cd\n-0.033332 0.000000 0.679617 O\n-0.033332 0.000000 0.320382 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 5.044193019948277,
"density_atomic": 0.06310549643563441,
"volume": 47.539440610532296,
"volume_molar": 9.542973433609529,
"formula_full": "Cd1 O2",
"formula_reduced": "CdO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0754417500000004,
"spacegroup": 47
},
{
"id": "jvasp-118010",
"created_at": "2022-09-04T14:38:49.471498Z",
"updated_at": "2022-09-04T14:38:49.471527Z",
"structure_string": "Cd2 O1\n1.0\n3.420667 0.000000 0.008551\n0.000000 3.369041 0.000000\n-0.014895 0.000000 5.656222\nCd O\n2 1\ndirect\n-0.199940 0.000000 -0.141062 Cd\n0.299821 0.000000 0.454381 Cd\n0.300118 0.000000 0.086681 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 6.134762787390712,
"density_atomic": 0.046022992617322234,
"volume": 65.18480936137242,
"volume_molar": 13.08506991293168,
"formula_full": "Cd2 O1",
"formula_reduced": "Cd2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 25
},
{
"id": "jvasp-78869",
"created_at": "2022-09-04T14:36:40.481861Z",
"updated_at": "2022-09-04T14:36:40.481882Z",
"structure_string": "Cd1 O2\n1.0\n-1.739847 -3.013793 0.000170\n-1.740097 3.013938 -0.000000\n0.000246 0.000142 -3.748570\nCd O\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333414 0.666708 0.266765 O\n0.666586 0.333293 0.733235 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 6.099356513415341,
"density_atomic": 0.07630614435149871,
"volume": 39.31531366832949,
"volume_molar": 7.892078431141071,
"formula_full": "Cd1 O2",
"formula_reduced": "CdO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0947650833333338,
"spacegroup": 164
},
{
"id": "jvasp-7774",
"created_at": "2022-09-04T14:37:02.701244Z",
"updated_at": "2022-09-04T14:37:02.701263Z",
"structure_string": "Cd2 O2\n1.0\n1.830706 -3.170876 0.000000\n1.830706 3.170876 0.000000\n0.000000 0.000000 5.781627\nCd O\n2 2\ndirect\n0.666668 0.333334 0.500653 Cd\n0.333334 0.666668 0.000653 Cd\n0.666668 0.333334 0.114448 O\n0.333334 0.666668 0.614448 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 6.353329252554889,
"density_atomic": 0.059591190537111,
"volume": 67.1240155457032,
"volume_molar": 10.105756749816324,
"formula_full": "Cd2 O2",
"formula_reduced": "CdO",
"formula_anonymous": "AB",
"energy_above_hull": 0.0398858750000002,
"spacegroup": 186
},
{
"id": "jvasp-9118",
"created_at": "2022-09-04T14:38:08.777998Z",
"updated_at": "2022-09-04T14:38:08.778020Z",
"structure_string": "Cd4 O8\n1.0\n5.367882 -0.000000 0.000000\n-0.000000 5.367882 -0.000000\n0.000000 -0.000000 5.367882\nCd O\n4 8\ndirect\n0.500000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.081002 0.418998 0.581001 O\n0.418998 0.581001 0.081002 O\n0.581001 0.081002 0.418998 O\n0.918998 0.918998 0.918998 O\n0.081002 0.081002 0.081002 O\n0.418998 0.918998 0.581001 O\n0.581001 0.418998 0.918998 O\n0.918998 0.581001 0.418998 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 6.201501802601332,
"density_atomic": 0.07758403541497541,
"volume": 154.67099559613445,
"volume_molar": 7.762087558077182,
"formula_full": "Cd4 O8",
"formula_reduced": "CdO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9252384166666672,
"spacegroup": 205
},
{
"id": "jvasp-118009",
"created_at": "2022-09-04T14:38:30.472405Z",
"updated_at": "2022-09-04T14:38:30.472434Z",
"structure_string": "Cd1 O1\n1.0\n3.157168 0.000000 -0.000000\n0.000000 3.157168 0.000000\n0.000000 0.000000 3.576203\nCd O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 5.981798073266836,
"density_atomic": 0.05610640572345938,
"volume": 35.64655361916641,
"volume_molar": 10.733428175175378,
"formula_full": "Cd1 O1",
"formula_reduced": "CdO",
"formula_anonymous": "AB",
"energy_above_hull": 0.1966108750000003,
"spacegroup": 123
},
{
"id": "jvasp-118008",
"created_at": "2022-09-04T14:38:47.218332Z",
"updated_at": "2022-09-04T14:38:47.218353Z",
"structure_string": "Cd1 O2\n1.0\n3.988290 -0.189518 0.165144\n1.210326 -3.283803 0.819231\n0.261893 1.051752 -3.307159\nCd O\n1 2\ndirect\n0.881652 0.569727 0.068659 Cd\n0.175090 0.732918 0.643944 O\n0.588204 0.406573 0.493366 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 6.08167206395774,
"density_atomic": 0.07608490262704458,
"volume": 39.429635793916916,
"volume_molar": 7.9150272288834,
"formula_full": "Cd1 O2",
"formula_reduced": "CdO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.955238416666667,
"spacegroup": 12
},
{
"id": "jvasp-105133",
"created_at": "2022-09-04T14:36:53.984072Z",
"updated_at": "2022-09-04T14:36:53.984097Z",
"structure_string": "Cd3 Ni1\n1.0\n4.168115 0.000000 0.000000\n0.000000 4.168115 0.000000\n0.000000 0.000000 4.168115\nCd Ni\n3 1\ndirect\n-0.000000 0.500001 0.500001 Cd\n0.500001 0.000000 0.500001 Cd\n0.500001 0.500001 -0.000000 Cd\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
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"elements": [
"Cd",
"Ni"
],
"chemical_system": "Cd-Ni",
"density": 9.079135131472652,
"density_atomic": 0.055238377395075665,
"volume": 72.41342321464693,
"volume_molar": 10.902095687801388,
"formula_full": "Cd3 Ni1",
"formula_reduced": "Cd3Ni",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-36269",
"created_at": "2022-09-04T14:36:52.101657Z",
"updated_at": "2022-09-04T14:36:52.101684Z",
"structure_string": "Cd1 N1\n1.0\n2.551903 2.551903 -0.000000\n2.551903 0.000000 -2.551903\n-0.000000 2.551903 -2.551903\nCd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.749999 0.749999 N\n",
"nsites": 2,
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"elements": [
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"N"
],
"chemical_system": "Cd-N",
"density": 6.315889149500861,
"density_atomic": 0.060173810306618475,
"volume": 33.237050966340774,
"volume_molar": 10.007909968329908,
"formula_full": "Cd1 N1",
"formula_reduced": "CdN",
"formula_anonymous": "AB",
"energy_above_hull": 1.5963065,
"spacegroup": 216
}
]
}