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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=242",
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{
"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",
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],
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"volume": 239.38595703437167,
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"formula_full": "Ba4 Cd1 Pd1",
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"formula_anonymous": "ABC4",
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{
"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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"density": 6.2170511464124525,
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"volume": 228.84721717322208,
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"formula_full": "Ba4 Cd1 Pt1",
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"formula_anonymous": "ABC4",
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{
"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,
"nelements": 3,
"elements": [
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"Cd",
"Re"
],
"chemical_system": "Ba-Cd-Re",
"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,
"nelements": 3,
"elements": [
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],
"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": [
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"Ru"
],
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"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",
"energy_above_hull": 0.4488756883333333,
"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,
"volume_molar": 25.404856980600243,
"formula_full": "Ba4 Cd1 Sb1",
"formula_reduced": "Ba4CdSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0373136566666666,
"spacegroup": 216
},
{
"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": [
"Ba",
"Cd",
"Se"
],
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"density": 4.92579734481475,
"density_atomic": 0.024029717307465073,
"volume": 249.69082753778545,
"volume_molar": 25.06122183189047,
"formula_full": "Ba4 Cd1 Se1",
"formula_reduced": "Ba4CdSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0220804297222221,
"spacegroup": 216
},
{
"id": "jvasp-64165",
"created_at": "2022-09-04T14:36:13.542724Z",
"updated_at": "2022-09-04T14:36:13.542749Z",
"structure_string": "Ba4 Cd1 Si1\n1.0\n-0.000000 4.964181 4.964181\n4.964181 0.000000 4.964181\n4.964181 4.964181 -0.000000\nBa Cd Si\n4 1 1\ndirect\n0.121672 0.626109 0.626109 Ba\n0.626109 0.626109 0.626109 Ba\n0.626109 0.121672 0.626109 Ba\n0.626109 0.626109 0.121672 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
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"elements": [
"Ba",
"Cd",
"Si"
],
"chemical_system": "Ba-Cd-Si",
"density": 4.681686201466239,
"density_atomic": 0.024523272877276885,
"volume": 244.66554811122145,
"volume_molar": 24.55683949747213,
"formula_full": "Ba4 Cd1 Si1",
"formula_reduced": "Ba4CdSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1221753716666665,
"spacegroup": 216
},
{
"id": "jvasp-64586",
"created_at": "2022-09-04T14:35:48.600014Z",
"updated_at": "2022-09-04T14:35:48.600039Z",
"structure_string": "Ba4 Cd1 Sn1\n1.0\n-0.000000 5.033719 5.033719\n5.033719 -0.000000 5.033719\n5.033719 5.033719 -0.000000\nBa Cd Sn\n4 1 1\ndirect\n0.121970 0.626010 0.626010 Ba\n0.626010 0.626010 0.626010 Ba\n0.626010 0.121970 0.626010 Ba\n0.626010 0.626010 0.121970 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
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"elements": [
"Ba",
"Cd",
"Sn"
],
"chemical_system": "Ba-Cd-Sn",
"density": 5.080255991229469,
"density_atomic": 0.023520922482319205,
"volume": 255.0920358038776,
"volume_molar": 25.60333577276518,
"formula_full": "Ba4 Cd1 Sn1",
"formula_reduced": "Ba4CdSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0098569899999999,
"spacegroup": 216
},
{
"id": "jvasp-66058",
"created_at": "2022-09-04T14:35:52.498568Z",
"updated_at": "2022-09-04T14:35:52.498601Z",
"structure_string": "Ba4 Cd1 Tc1\n1.0\n0.000000 4.821255 4.821255\n4.821255 -0.000000 4.821255\n4.821255 4.821255 0.000000\nBa Cd Tc\n4 1 1\ndirect\n0.122762 0.625745 0.625745 Ba\n0.625745 0.625745 0.625745 Ba\n0.625745 0.122762 0.625745 Ba\n0.625745 0.625745 0.122762 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
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"elements": [
"Ba",
"Cd",
"Tc"
],
"chemical_system": "Ba-Cd-Tc",
"density": 5.6284884977121585,
"density_atomic": 0.026769542431591523,
"volume": 224.1353215256763,
"volume_molar": 22.49624092525801,
"formula_full": "Ba4 Cd1 Tc1",
"formula_reduced": "Ba4CdTc",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64232",
"created_at": "2022-09-04T14:36:20.118143Z",
"updated_at": "2022-09-04T14:36:20.118167Z",
"structure_string": "Ba4 Cd1 Te1\n1.0\n-0.000000 5.059527 5.059527\n5.059527 0.000000 5.059527\n5.059527 5.059527 0.000000\nBa Cd Te\n4 1 1\ndirect\n0.121440 0.626187 0.626187 Ba\n0.626187 0.626187 0.626187 Ba\n0.626187 0.121440 0.626187 Ba\n0.626187 0.626187 0.121440 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
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"elements": [
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],
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"density": 5.059899666701232,
"density_atomic": 0.023162823675762657,
"volume": 259.0357757754008,
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"formula_full": "Ba4 Cd1 Te1",
"formula_reduced": "Ba4CdTe",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66504",
"created_at": "2022-09-04T14:36:06.526253Z",
"updated_at": "2022-09-04T14:36:06.526278Z",
"structure_string": "Ba4 Cd1 W1\n1.0\n0.000000 4.822974 4.822974\n4.822974 -0.000000 4.822974\n4.822974 4.822974 0.000000\nBa Cd W\n4 1 1\ndirect\n0.122688 0.625771 0.625771 Ba\n0.625771 0.625771 0.625771 Ba\n0.625771 0.122688 0.625771 Ba\n0.625771 0.625771 0.122688 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
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"elements": [
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],
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"density": 6.257750680924993,
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"volume": 224.3751507862381,
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"formula_full": "Ba4 Cd1 W1",
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}