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{
"id": "jvasp-64507",
"created_at": "2022-09-04T14:36:16.712061Z",
"updated_at": "2022-09-04T14:36:16.712086Z",
"structure_string": "Ba4 Cd1 P1\n1.0\n-0.000000 4.929231 4.929231\n4.929231 0.000000 4.929231\n4.929231 4.929231 0.000000\nBa Cd P\n4 1 1\ndirect\n0.120392 0.626536 0.626536 Ba\n0.626536 0.626536 0.626536 Ba\n0.626536 0.120392 0.626536 Ba\n0.626536 0.626536 0.120392 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 P\n",
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"density_atomic": 0.02504861637075822,
"volume": 239.53418868294884,
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"formula_full": "Ba4 Cd1 P1",
"formula_reduced": "Ba4CdP",
"formula_anonymous": "ABC4",
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{
"id": "jvasp-65608",
"created_at": "2022-09-04T14:36:11.534327Z",
"updated_at": "2022-09-04T14:36:11.534348Z",
"structure_string": "Ba1 Cd1 P2\n1.0\n4.850614 0.000000 0.000000\n0.000000 4.850614 -0.000000\n0.000000 0.000000 4.249201\nBa Cd P\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 P\n0.500000 0.000000 0.000000 P\n",
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"density": 5.176843342413982,
"density_atomic": 0.04000914628458591,
"volume": 99.9771395157476,
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"formula_full": "Ba1 Cd1 P2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
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{
"id": "jvasp-64159",
"created_at": "2022-09-04T14:36:11.268381Z",
"updated_at": "2022-09-04T14:36:11.268402Z",
"structure_string": "Ba4 Cd1 Pb1\n1.0\n-0.000000 5.061682 5.061682\n5.061682 0.000000 5.061682\n5.061682 5.061682 -0.000000\nBa Cd Pb\n4 1 1\ndirect\n0.122370 0.625876 0.625876 Ba\n0.625876 0.625876 0.625876 Ba\n0.625876 0.122370 0.625876 Ba\n0.625876 0.625876 0.122370 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
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"elements": [
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],
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"density": 5.563061025655493,
"density_atomic": 0.02313325170554086,
"volume": 259.36690943292183,
"volume_molar": 26.03240061818712,
"formula_full": "Ba4 Cd1 Pb1",
"formula_reduced": "Ba4CdPb",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-105550",
"created_at": "2022-09-04T14:36:59.799577Z",
"updated_at": "2022-09-04T14:36:59.799596Z",
"structure_string": "Ba2 Cd2 Pb2\n1.0\n5.201798 0.060658 4.251309\n2.431820 4.598764 4.251309\n-0.010001 -0.006105 8.549481\nBa Cd Pb\n2 2 2\ndirect\n0.544793 0.544793 0.204631 Ba\n0.455207 0.455208 0.795368 Ba\n0.156024 0.156024 0.398751 Cd\n0.843976 0.843976 0.601249 Cd\n0.834376 0.834375 0.231030 Pb\n0.165624 0.165625 0.768969 Pb\n",
"nsites": 6,
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"elements": [
"Ba",
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],
"chemical_system": "Ba-Cd-Pb",
"density": 7.456289926626416,
"density_atomic": 0.02948069158246752,
"volume": 203.5230409441366,
"volume_molar": 20.427406674480565,
"formula_full": "Ba2 Cd2 Pb2",
"formula_reduced": "BaCdPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-69368",
"created_at": "2022-09-04T14:35:43.634443Z",
"updated_at": "2022-09-04T14:35:43.634472Z",
"structure_string": "Ba2 Cd1 Pb1\n1.0\n-0.000000 4.248545 4.248545\n4.248545 0.000000 4.248545\n4.248545 4.248545 -0.000000\nBa Cd Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Pb\n",
"nsites": 4,
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"elements": [
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"Cd",
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"density": 6.4339634091569,
"density_atomic": 0.026080104537889455,
"volume": 153.37361835297696,
"volume_molar": 23.090937964803665,
"formula_full": "Ba2 Cd1 Pb1",
"formula_reduced": "Ba2CdPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 7.500000000000562e-06,
"spacegroup": 225
},
{
"id": "jvasp-66156",
"created_at": "2022-09-04T14:36:10.888578Z",
"updated_at": "2022-09-04T14:36:10.888598Z",
"structure_string": "Ba1 Cd1 Pb1\n1.0\n0.000000 3.965615 3.965615\n3.965615 -0.000000 3.965615\n3.965615 3.965615 -0.000000\nBa Cd Pb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 Pb\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ba-Cd-Pb",
"density": 6.08337701304934,
"density_atomic": 0.02405246620858305,
"volume": 124.72733456868797,
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"formula_full": "Ba1 Cd1 Pb1",
"formula_reduced": "BaCdPb",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-40427",
"created_at": "2022-09-04T14:37:51.706989Z",
"updated_at": "2022-09-04T14:37:51.707012Z",
"structure_string": "Ba2 Cd1 Pb1\n1.0\n0.000000 4.248546 4.248546\n4.248546 0.000000 4.248546\n4.248546 4.248546 0.000000\nBa Cd Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Cd\n0.750001 0.750001 0.750001 Pb\n",
"nsites": 4,
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"elements": [
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"Cd",
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"density": 6.433958865982437,
"density_atomic": 0.026080086122107868,
"volume": 153.37372665381017,
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"formula_full": "Ba2 Cd1 Pb1",
"formula_reduced": "Ba2CdPb",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-63923",
"created_at": "2022-09-04T14:37:51.928969Z",
"updated_at": "2022-09-04T14:37:51.928993Z",
"structure_string": "Ba4 Cd1 Pd1\n1.0\n0.000000 4.928214 4.928214\n4.928214 -0.000000 4.928214\n4.928214 4.928214 -0.000000\nBa Cd Pd\n4 1 1\ndirect\n0.123279 0.625574 0.625574 Ba\n0.625574 0.625574 0.625574 Ba\n0.625574 0.123279 0.625574 Ba\n0.625574 0.625574 0.123279 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
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"elements": [
"Ba",
"Cd",
"Pd"
],
"chemical_system": "Ba-Cd-Pd",
"density": 5.3283193127987625,
"density_atomic": 0.025064126878330227,
"volume": 239.38595703437167,
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"formula_full": "Ba4 Cd1 Pd1",
"formula_reduced": "Ba4CdPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64028",
"created_at": "2022-09-04T14:36:06.365776Z",
"updated_at": "2022-09-04T14:36:06.365801Z",
"structure_string": "Ba4 Cd1 Pt1\n1.0\n-0.000000 4.854806 4.854806\n4.854806 0.000000 4.854806\n4.854806 4.854806 -0.000000\nBa Cd Pt\n4 1 1\ndirect\n0.121910 0.626031 0.626031 Ba\n0.626031 0.626031 0.626031 Ba\n0.626031 0.121910 0.626031 Ba\n0.626031 0.626031 0.121910 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
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"elements": [
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],
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"density": 6.2170511464124525,
"density_atomic": 0.02621836557207685,
"volume": 228.84721717322208,
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"formula_full": "Ba4 Cd1 Pt1",
"formula_reduced": "Ba4CdPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0275741716666666,
"spacegroup": 216
},
{
"id": "jvasp-66340",
"created_at": "2022-09-04T14:35:59.828254Z",
"updated_at": "2022-09-04T14:35:59.828281Z",
"structure_string": "Ba4 Cd1 Re1\n1.0\n-0.000000 4.781123 4.781123\n4.781123 0.000000 4.781123\n4.781123 4.781123 0.000000\nBa Cd Re\n4 1 1\ndirect\n0.122249 0.625917 0.625917 Ba\n0.625917 0.625917 0.625917 Ba\n0.625917 0.122249 0.625917 Ba\n0.625917 0.625917 0.122249 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
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"elements": [
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"Re"
],
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"density": 6.441504348956993,
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"volume": 218.5846926912122,
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66553",
"created_at": "2022-09-04T14:36:16.340415Z",
"updated_at": "2022-09-04T14:36:16.340435Z",
"structure_string": "Ba4 Cd1 Rh1\n1.0\n0.000000 4.851116 4.851116\n4.851116 -0.000000 4.851116\n4.851116 4.851116 -0.000000\nBa Cd Rh\n4 1 1\ndirect\n0.122634 0.625790 0.625790 Ba\n0.625790 0.625790 0.625790 Ba\n0.625790 0.122634 0.625790 Ba\n0.625790 0.625790 0.122634 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
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"density_atomic": 0.026278240069364363,
"volume": 228.3257929055495,
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"formula_full": "Ba4 Cd1 Rh1",
"formula_reduced": "Ba4CdRh",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66274",
"created_at": "2022-09-04T14:36:15.512775Z",
"updated_at": "2022-09-04T14:36:15.512803Z",
"structure_string": "Ba4 Cd1 Ru1\n1.0\n0.000000 4.836710 4.836710\n4.836710 0.000000 4.836710\n4.836710 4.836710 0.000000\nBa Cd Ru\n4 1 1\ndirect\n0.122819 0.625727 0.625727 Ba\n0.625727 0.625727 0.625727 Ba\n0.625727 0.122819 0.625727 Ba\n0.625727 0.625727 0.122819 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
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"density": 5.597232888103113,
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"volume": 226.29770091664142,
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"formula_full": "Ba4 Cd1 Ru1",
"formula_reduced": "Ba4CdRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4488756883333333,
"spacegroup": 216
}
]
}