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{
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{
"id": "jvasp-64144",
"created_at": "2022-09-04T14:35:57.270717Z",
"updated_at": "2022-09-04T14:35:57.270740Z",
"structure_string": "Ba4 Cd1 Hg1\n1.0\n-0.000000 5.075244 5.075244\n5.075244 0.000000 5.075244\n5.075244 5.075244 0.000000\nBa Cd Hg\n4 1 1\ndirect\n0.124623 0.625126 0.625126 Ba\n0.625126 0.625126 0.625126 Ba\n0.625126 0.124623 0.625126 Ba\n0.625126 0.625126 0.124623 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 6,
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"elements": [
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"density": 5.476602765095463,
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"volume": 261.4573017979002,
"volume_molar": 26.242211235945934,
"formula_full": "Ba4 Cd1 Hg1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-66111",
"created_at": "2022-09-04T14:36:05.006353Z",
"updated_at": "2022-09-04T14:36:05.006386Z",
"structure_string": "Ba4 Cd1 Ir1\n1.0\n0.000000 4.789353 4.789353\n4.789353 -0.000000 4.789353\n4.789353 4.789353 -0.000000\nBa Cd Ir\n4 1 1\ndirect\n0.121720 0.626093 0.626093 Ba\n0.626093 0.626093 0.626093 Ba\n0.626093 0.121720 0.626093 Ba\n0.626093 0.626093 0.121720 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 6,
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"elements": [
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"density": 6.453775896577538,
"density_atomic": 0.027308051350065747,
"volume": 219.715421034081,
"volume_molar": 22.052619876831677,
"formula_full": "Ba4 Cd1 Ir1",
"formula_reduced": "Ba4CdIr",
"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-66429",
"created_at": "2022-09-04T14:36:02.360564Z",
"updated_at": "2022-09-04T14:36:02.360596Z",
"structure_string": "Ba4 Cd1 Os1\n1.0\n-0.000000 4.767644 4.767644\n4.767644 -0.000000 4.767644\n4.767644 4.767644 0.000000\nBa Cd Os\n4 1 1\ndirect\n0.122019 0.625993 0.625993 Ba\n0.625993 0.625993 0.625993 Ba\n0.625993 0.122019 0.625993 Ba\n0.625993 0.625993 0.122019 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
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"elements": [
"Ba",
"Cd",
"Os"
],
"chemical_system": "Ba-Cd-Os",
"density": 6.527114658202675,
"density_atomic": 0.02768278611180213,
"volume": 216.7411898415092,
"volume_molar": 21.754099228590846,
"formula_full": "Ba4 Cd1 Os1",
"formula_reduced": "Ba4CdOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.742393105,
"spacegroup": 216
},
{
"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",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"P"
],
"chemical_system": "Ba-Cd-P",
"density": 4.802000911755172,
"density_atomic": 0.02504861637075822,
"volume": 239.53418868294884,
"volume_molar": 24.041810018018616,
"formula_full": "Ba4 Cd1 P1",
"formula_reduced": "Ba4CdP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0741115216666666,
"spacegroup": 216
},
{
"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": [
"Ba",
"Cd",
"Pb"
],
"chemical_system": "Ba-Cd-Pb",
"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",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"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",
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"chemical_system": "Ba-Cd-Pd",
"density": 5.3283193127987625,
"density_atomic": 0.025064126878330227,
"volume": 239.38595703437167,
"volume_molar": 24.026932153804974,
"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": [
"Ba",
"Cd",
"Pt"
],
"chemical_system": "Ba-Cd-Pt",
"density": 6.2170511464124525,
"density_atomic": 0.02621836557207685,
"volume": 228.84721717322208,
"volume_molar": 22.969169239190542,
"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": [
"Ba",
"Cd",
"Re"
],
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"density": 6.441504348956993,
"density_atomic": 0.027449314616353367,
"volume": 218.5846926912122,
"volume_molar": 21.939129789463717,
"formula_full": "Ba4 Cd1 Re1",
"formula_reduced": "Ba4CdRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9480619383333332,
"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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"elements": [
"Ba",
"Cd",
"Rh"
],
"chemical_system": "Ba-Cd-Rh",
"density": 5.560864751073997,
"density_atomic": 0.026278240069364363,
"volume": 228.3257929055495,
"volume_molar": 22.916834400263806,
"formula_full": "Ba4 Cd1 Rh1",
"formula_reduced": "Ba4CdRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1111877716666666,
"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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"elements": [
"Ba",
"Cd",
"Ru"
],
"chemical_system": "Ba-Cd-Ru",
"density": 5.597232888103113,
"density_atomic": 0.02651374704955641,
"volume": 226.29770091664142,
"volume_molar": 22.713276809739927,
"formula_full": "Ba4 Cd1 Ru1",
"formula_reduced": "Ba4CdRu",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64822",
"created_at": "2022-09-04T14:36:04.745346Z",
"updated_at": "2022-09-04T14:36:04.745372Z",
"structure_string": "Ba4 Cd1 Sb1\n1.0\n0.000000 5.020678 5.020678\n5.020678 0.000000 5.020678\n5.020678 5.020678 -0.000000\nBa Cd Sb\n4 1 1\ndirect\n0.120738 0.626421 0.626421 Ba\n0.626421 0.626421 0.626421 Ba\n0.626421 0.120738 0.626421 Ba\n0.626421 0.626421 0.120738 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
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"elements": [
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"Sb"
],
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"density": 5.139955457648183,
"density_atomic": 0.02370468278801432,
"volume": 253.11454507350544,
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"formula_full": "Ba4 Cd1 Sb1",
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-64184",
"created_at": "2022-09-04T14:35:42.307663Z",
"updated_at": "2022-09-04T14:35:42.307713Z",
"structure_string": "Ba4 Cd1 Se1\n1.0\n0.000000 4.997938 4.997938\n4.997938 0.000000 4.997938\n4.997938 4.997938 0.000000\nBa Cd Se\n4 1 1\ndirect\n0.121166 0.626278 0.626278 Ba\n0.626278 0.626278 0.626278 Ba\n0.626278 0.121166 0.626278 Ba\n0.626278 0.626278 0.121166 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ba-Cd-Se",
"density": 4.92579734481475,
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"volume": 249.69082753778545,
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"formula_full": "Ba4 Cd1 Se1",
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"formula_anonymous": "ABC4",
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}