HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=411",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=409",
"results": [
{
"id": "jvasp-63909",
"created_at": "2022-09-04T14:35:42.112747Z",
"updated_at": "2022-09-04T14:35:42.112764Z",
"structure_string": "Ba4 Co1 Sb1\n1.0\n-0.000000 4.874481 4.874481\n4.874481 -0.000000 4.874481\n4.874481 4.874481 0.000000\nBa Co Sb\n4 1 1\ndirect\n0.124371 0.625209 0.625209 Ba\n0.625209 0.625209 0.625209 Ba\n0.625209 0.124371 0.625209 Ba\n0.625209 0.625209 0.124371 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Sb"
],
"chemical_system": "Ba-Co-Sb",
"density": 5.2330818448305445,
"density_atomic": 0.025902167589515277,
"volume": 231.6408454722797,
"volume_molar": 23.249562953324617,
"formula_full": "Ba4 Co1 Sb1",
"formula_reduced": "Ba4CoSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8282568133333332,
"spacegroup": 216
},
{
"id": "jvasp-64614",
"created_at": "2022-09-04T14:36:00.781228Z",
"updated_at": "2022-09-04T14:36:00.781255Z",
"structure_string": "Ba4 Co1 Se1\n1.0\n0.000000 4.834658 4.834658\n4.834658 -0.000000 4.834658\n4.834658 4.834658 0.000000\nBa Co Se\n4 1 1\ndirect\n0.124671 0.625110 0.625110 Ba\n0.625110 0.625110 0.625110 Ba\n0.625110 0.124671 0.625110 Ba\n0.625110 0.625110 0.124671 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Se"
],
"chemical_system": "Ba-Co-Se",
"density": 5.049004227118426,
"density_atomic": 0.026547521499042014,
"volume": 226.00979907734566,
"volume_molar": 22.6843803863849,
"formula_full": "Ba4 Co1 Se1",
"formula_reduced": "Ba4CoSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.780029691111111,
"spacegroup": 216
},
{
"id": "jvasp-66114",
"created_at": "2022-09-04T14:36:08.420980Z",
"updated_at": "2022-09-04T14:36:08.421007Z",
"structure_string": "Ba4 Co1 Si1\n1.0\n-0.000000 4.853550 4.853550\n4.853550 -0.000000 4.853550\n4.853550 4.853550 -0.000000\nBa Co Si\n4 1 1\ndirect\n0.123482 0.625506 0.625506 Ba\n0.625506 0.625506 0.625506 Ba\n0.625506 0.123482 0.625506 Ba\n0.625506 0.625506 0.123482 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Si"
],
"chemical_system": "Ba-Co-Si",
"density": 4.620837764511211,
"density_atomic": 0.02623872517870096,
"volume": 228.66964607222778,
"volume_molar": 22.951346603105613,
"formula_full": "Ba4 Co1 Si1",
"formula_reduced": "Ba4CoSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1593455633333334,
"spacegroup": 216
},
{
"id": "jvasp-64008",
"created_at": "2022-09-04T14:35:56.029870Z",
"updated_at": "2022-09-04T14:35:56.029895Z",
"structure_string": "Ba4 Co1 Sn1\n1.0\n-0.000000 4.925049 4.925049\n4.925049 0.000000 4.925049\n4.925049 4.925049 -0.000000\nBa Co Sn\n4 1 1\ndirect\n0.123860 0.625380 0.625380 Ba\n0.625380 0.625380 0.625380 Ba\n0.625380 0.123860 0.625380 Ba\n0.625380 0.625380 0.123860 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Sn"
],
"chemical_system": "Ba-Co-Sn",
"density": 5.052341402005137,
"density_atomic": 0.025112479057936125,
"volume": 238.9250374746997,
"volume_molar": 23.980670112681942,
"formula_full": "Ba4 Co1 Sn1",
"formula_reduced": "Ba4CoSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6125510799999999,
"spacegroup": 216
},
{
"id": "jvasp-66632",
"created_at": "2022-09-04T14:36:18.094555Z",
"updated_at": "2022-09-04T14:36:18.094574Z",
"structure_string": "Ba4 Co1 Tc1\n1.0\n-0.000000 4.783720 4.783720\n4.783720 0.000000 4.783720\n4.783720 4.783720 0.000000\nBa Co Tc\n4 1 1\ndirect\n0.125338 0.624887 0.624887 Ba\n0.624887 0.624887 0.624887 Ba\n0.624887 0.125338 0.624887 Ba\n0.624887 0.624887 0.125338 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Tc"
],
"chemical_system": "Ba-Co-Tc",
"density": 5.356423332383404,
"density_atomic": 0.027404633587460297,
"volume": 218.94107727626965,
"volume_molar": 21.974899758395555,
"formula_full": "Ba4 Co1 Tc1",
"formula_reduced": "Ba4CoTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.693107713333333,
"spacegroup": 216
},
{
"id": "jvasp-64190",
"created_at": "2022-09-04T14:35:53.147327Z",
"updated_at": "2022-09-04T14:35:53.147356Z",
"structure_string": "Ba4 Co1 Te1\n1.0\n-0.000000 4.902171 4.902171\n4.902171 -0.000000 4.902171\n4.902171 4.902171 -0.000000\nBa Co Te\n4 1 1\ndirect\n0.125071 0.624976 0.624976 Ba\n0.624976 0.624976 0.624976 Ba\n0.624976 0.125071 0.624976 Ba\n0.624976 0.624976 0.125071 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Te"
],
"chemical_system": "Ba-Co-Te",
"density": 5.18606349788052,
"density_atomic": 0.02546571564425171,
"volume": 235.61089284975031,
"volume_molar": 23.64803268884123,
"formula_full": "Ba4 Co1 Te1",
"formula_reduced": "Ba4CoTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6809154244444444,
"spacegroup": 216
},
{
"id": "jvasp-64132",
"created_at": "2022-09-04T14:35:49.113379Z",
"updated_at": "2022-09-04T14:35:49.113407Z",
"structure_string": "Ba4 Co1 W1\n1.0\n0.000000 4.796862 4.796862\n4.796862 -0.000000 4.796862\n4.796862 4.796862 -0.000000\nBa Co W\n4 1 1\ndirect\n0.124645 0.625118 0.625118 Ba\n0.625118 0.625118 0.625118 Ba\n0.625118 0.124645 0.625118 Ba\n0.625118 0.625118 0.124645 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"W"
],
"chemical_system": "Ba-Co-W",
"density": 5.958228176927157,
"density_atomic": 0.02718000806019893,
"volume": 220.75048641306716,
"volume_molar": 22.156508366965966,
"formula_full": "Ba4 Co1 W1",
"formula_reduced": "Ba4CoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.16201913,
"spacegroup": 216
},
{
"id": "jvasp-51071",
"created_at": "2022-09-04T14:38:33.795522Z",
"updated_at": "2022-09-04T14:38:33.795548Z",
"structure_string": "Ba4 Co2 Se4 Cl4 O12\n1.0\n5.397051 0.000000 0.000000\n0.000000 6.814531 -0.000000\n0.000000 -0.000000 12.639098\nBa Co Se Cl O\n4 2 4 4 12\ndirect\n0.500000 0.697584 0.731733 Ba\n0.500000 0.302416 0.268267 Ba\n0.000000 0.197584 0.768267 Ba\n0.000000 0.802416 0.231733 Ba\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.757548 0.429994 Se\n0.500000 0.242452 0.570006 Se\n0.000000 0.257548 0.070006 Se\n0.000000 0.742452 0.929994 Se\n0.000000 0.177282 0.398089 Cl\n0.000000 0.822717 0.601911 Cl\n0.500000 0.322717 0.898089 Cl\n0.500000 0.677282 0.101911 Cl\n0.257681 0.399613 0.607316 O\n0.757681 0.100387 0.107316 O\n0.000000 0.585272 0.825482 O\n0.257681 0.600387 0.392684 O\n0.000000 0.414728 0.174518 O\n0.742319 0.600387 0.392684 O\n0.742319 0.399613 0.607316 O\n0.242319 0.899613 0.892685 O\n0.242319 0.100387 0.107316 O\n0.500000 0.914728 0.325482 O\n0.500000 0.085272 0.674518 O\n0.757681 0.899613 0.892685 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Ba",
"Co",
"Se",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Co-O-Se",
"density": 4.703993030081715,
"density_atomic": 0.055932569789328125,
"volume": 464.8454397487879,
"volume_molar": 10.766787191581924,
"formula_full": "Ba4 Co2 Se4 Cl4 O12",
"formula_reduced": "Ba2CoSe2(ClO3)2",
"formula_anonymous": "AB2C2D2E6",
"energy_above_hull": 1.7786445160256408,
"spacegroup": 58
},
{
"id": "jvasp-120570",
"created_at": "2022-09-04T14:38:46.108456Z",
"updated_at": "2022-09-04T14:38:46.108481Z",
"structure_string": "Ba4 Co4 O12\n1.0\n5.684054 -0.000834 0.013814\n2.842708 4.922152 0.009343\n-0.024772 -0.005137 9.512067\nBa Co O\n4 4 12\ndirect\n0.333297 0.333358 0.500007 Ba\n0.333371 0.333292 -0.000001 Ba\n0.666655 0.666673 0.250009 Ba\n0.666663 0.666671 0.749998 Ba\n-0.000027 0.000023 0.625001 Co\n0.000032 -0.000032 0.874997 Co\n0.000023 -0.000026 0.125000 Co\n-0.000036 0.000028 0.374999 Co\n0.149185 0.701582 0.749976 O\n0.149208 0.701590 0.250009 O\n0.850836 0.298368 0.000002 O\n0.850763 0.298450 0.500009 O\n0.298453 0.850748 0.000018 O\n0.850837 0.850743 0.999968 O\n0.701582 0.149233 0.749994 O\n0.701576 0.149203 0.249965 O\n0.149188 0.149220 0.250028 O\n0.850736 0.850839 0.499975 O\n0.298373 0.850812 0.500019 O\n0.149227 0.149189 0.750025 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Co",
"O"
],
"chemical_system": "Ba-Co-O",
"density": 6.095801353508241,
"density_atomic": 0.07514536769250298,
"volume": 266.1508036242577,
"volume_molar": 8.01398801406199,
"formula_full": "Ba4 Co4 O12",
"formula_reduced": "BaCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.777859474,
"spacegroup": 194
},
{
"id": "jvasp-120551",
"created_at": "2022-09-04T14:38:53.204987Z",
"updated_at": "2022-09-04T14:38:53.205013Z",
"structure_string": "Ba4 Co8 Br2 O14\n1.0\n5.659633 0.010709 1.060905\n2.721096 4.962580 1.060905\n-0.053367 -0.031669 15.887631\nBa Co Br O\n4 8 2 14\ndirect\n0.429984 0.435519 0.702135 Ba\n0.564481 0.570016 0.297865 Ba\n0.283248 0.288709 0.141502 Ba\n0.711290 0.716752 0.858497 Ba\n-0.002826 0.502826 0.499998 Co\n-0.002830 0.002829 0.500000 Co\n0.497174 0.002826 0.500002 Co\n0.100705 0.106225 0.689975 Co\n0.893775 0.899294 0.310024 Co\n0.779622 0.785184 0.653103 Co\n0.214816 0.220378 0.346896 Co\n0.497191 0.502809 0.500000 Co\n0.357635 0.363080 0.919418 Br\n0.636920 0.642365 0.080582 Br\n0.339053 0.887116 0.431836 O\n0.443148 0.917177 0.725719 O\n0.911656 0.448687 0.725705 O\n0.911644 0.917162 0.725715 O\n0.551313 0.088343 0.274294 O\n0.082823 0.556852 0.274280 O\n0.082838 0.088356 0.274285 O\n0.852038 0.857704 0.435277 O\n0.142296 0.147962 0.564723 O\n0.112884 0.660947 0.568163 O\n0.655296 0.118522 0.568169 O\n0.655301 0.660956 0.568170 O\n0.881478 0.344704 0.431831 O\n0.339044 0.344699 0.431829 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"Co",
"Br",
"O"
],
"chemical_system": "Ba-Br-Co-O",
"density": 5.227814522728134,
"density_atomic": 0.06276026078625778,
"volume": 446.14218693831475,
"volume_molar": 9.595468031131304,
"formula_full": "Ba4 Co8 Br2 O14",
"formula_reduced": "Ba2Co4BrO7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.4780152960714283,
"spacegroup": 166
},
{
"id": "jvasp-64411",
"created_at": "2022-09-04T14:36:14.483514Z",
"updated_at": "2022-09-04T14:36:14.483531Z",
"structure_string": "Ba4 Cr1 Br1\n1.0\n-0.000000 5.190089 5.190089\n5.190089 -0.000000 5.190089\n5.190089 5.190089 -0.000000\nBa Cr Br\n4 1 1\ndirect\n0.121938 0.626021 0.626021 Ba\n0.626021 0.626021 0.626021 Ba\n0.626021 0.121938 0.626021 Ba\n0.626021 0.626021 0.121938 Ba\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Br"
],
"chemical_system": "Ba-Br-Cr",
"density": 4.045521275591075,
"density_atomic": 0.02145837541650204,
"volume": 279.6111021240614,
"volume_molar": 28.064290250830545,
"formula_full": "Ba4 Cr1 Br1",
"formula_reduced": "Ba4CrBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7632158974999999,
"spacegroup": 216
},
{
"id": "jvasp-64737",
"created_at": "2022-09-04T14:37:51.581626Z",
"updated_at": "2022-09-04T14:37:51.581659Z",
"structure_string": "Ba4 Cr1 Cd1\n1.0\n0.000000 5.075694 5.075694\n5.075694 0.000000 5.075694\n5.075694 5.075694 -0.000000\nBa Cr Cd\n4 1 1\ndirect\n0.125559 0.624813 0.624813 Ba\n0.624813 0.624813 0.624813 Ba\n0.624813 0.125559 0.624813 Ba\n0.624813 0.624813 0.125559 Ba\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Cd"
],
"chemical_system": "Ba-Cd-Cr",
"density": 4.531663896244966,
"density_atomic": 0.02294219461207547,
"volume": 261.5268548389848,
"volume_molar": 26.24919220600756,
"formula_full": "Ba4 Cr1 Cd1",
"formula_reduced": "Ba4CrCd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4726268383333332,
"spacegroup": 216
}
]
}