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=6",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=4",
"results": [
{
"id": "jvasp-90790",
"created_at": "2022-09-04T14:36:11.877569Z",
"updated_at": "2022-09-04T14:36:11.877592Z",
"structure_string": "Zr6 Fe2\n1.0\n3.287889 0.000000 0.000000\n-1.643945 5.407171 0.000000\n-0.000000 0.000000 8.932913\nZr Fe\n6 2\ndirect\n0.136854 0.273708 0.440595 Zr\n0.863145 0.726292 0.559405 Zr\n0.136854 0.273708 0.059405 Zr\n0.863145 0.726292 0.940594 Zr\n0.418332 0.836667 0.250000 Zr\n0.581666 0.163333 0.750000 Zr\n0.728843 0.457687 0.250000 Fe\n0.271156 0.542313 0.750000 Fe\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Fe"
],
"chemical_system": "Fe-Zr",
"density": 6.890909756843907,
"density_atomic": 0.05037437040821835,
"volume": 158.81091783719518,
"volume_molar": 11.954771268004801,
"formula_full": "Zr6 Fe2",
"formula_reduced": "Zr3Fe",
"formula_anonymous": "AB3",
"energy_above_hull": 4.04401475,
"spacegroup": 63
},
{
"id": "jvasp-16882",
"created_at": "2022-09-04T14:37:37.186465Z",
"updated_at": "2022-09-04T14:37:37.186486Z",
"structure_string": "Zr6 Fe1 Sb2\n1.0\n3.909119 -6.770791 -0.000000\n3.909119 6.770791 -0.000000\n0.000000 0.000000 3.627244\nZr Fe Sb\n6 1 2\ndirect\n0.598887 0.000000 0.499999 Zr\n0.000000 0.239371 0.000000 Zr\n0.760629 0.760629 0.000000 Zr\n0.401113 0.401113 0.499999 Zr\n0.000000 0.598887 0.499999 Zr\n0.239371 0.000000 0.000000 Zr\n0.000000 0.000000 0.499999 Fe\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.000000 Sb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb-Zr",
"density": 7.322480222727342,
"density_atomic": 0.046872427204549934,
"volume": 192.01053874859642,
"volume_molar": 12.847938797194242,
"formula_full": "Zr6 Fe1 Sb2",
"formula_reduced": "Zr6FeSb2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.218480522222223,
"spacegroup": 189
},
{
"id": "jvasp-119045",
"created_at": "2022-09-04T14:38:51.445794Z",
"updated_at": "2022-09-04T14:38:51.445814Z",
"structure_string": "Zr6 Fe1 Cl15\n1.0\n8.336808 -0.000000 -2.947507\n-4.168404 7.219888 -2.947507\n-0.000000 -0.000000 8.842520\nZr Fe Cl\n6 1 15\ndirect\n0.759315 0.759314 -0.000000 Zr\n0.240686 0.000000 0.240686 Zr\n0.000000 0.240686 0.240686 Zr\n0.240686 0.240686 -0.000000 Zr\n0.759314 0.000000 0.759314 Zr\n0.000000 0.759314 0.759314 Zr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 -0.000000 Cl\n0.500143 0.750072 0.750071 Cl\n0.750072 0.500142 0.750071 Cl\n0.750072 0.750072 0.500142 Cl\n0.499858 0.249928 0.249928 Cl\n0.249928 0.000000 0.750072 Cl\n0.750072 0.249928 -0.000000 Cl\n0.000000 0.249928 0.750072 Cl\n0.249929 0.499858 0.249928 Cl\n0.500000 0.000000 0.500000 Cl\n0.000000 0.750072 0.249928 Cl\n0.750072 0.000000 0.249928 Cl\n0.249929 0.249928 0.499858 Cl\n0.249929 0.750072 -0.000000 Cl\n0.000000 0.500000 0.500000 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe-Zr",
"density": 3.541053805279582,
"density_atomic": 0.041334850372597855,
"volume": 532.2385299980299,
"volume_molar": 14.569160661561902,
"formula_full": "Zr6 Fe1 Cl15",
"formula_reduced": "Zr6FeCl15",
"formula_anonymous": "AB6C15",
"energy_above_hull": 1.6978510687500004,
"spacegroup": 229
},
{
"id": "jvasp-90189",
"created_at": "2022-09-04T14:36:18.071653Z",
"updated_at": "2022-09-04T14:36:18.071673Z",
"structure_string": "Zr6 Cu1 Bi2\n1.0\n0.000000 0.000000 -3.815986\n-3.926570 -6.801017 0.000000\n-3.926710 6.801098 0.000000\nZr Cu Bi\n6 1 2\ndirect\n0.500001 0.605535 -0.000000 Zr\n0.500001 0.394443 0.394460 Zr\n0.500001 0.999983 0.605540 Zr\n0.000000 0.238036 -0.000000 Zr\n0.000000 0.761948 0.761960 Zr\n0.000000 0.999987 0.238039 Zr\n0.500001 -0.000001 0.000000 Cu\n0.000000 0.333318 0.666666 Bi\n0.000000 0.666652 0.333334 Bi\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Bi"
],
"chemical_system": "Bi-Cu-Zr",
"density": 8.382377121517544,
"density_atomic": 0.04415787930763559,
"volume": 203.81413557701714,
"volume_molar": 13.637749036916901,
"formula_full": "Zr6 Cu1 Bi2",
"formula_reduced": "Zr6CuBi2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.5509006722222227,
"spacegroup": 189
},
{
"id": "jvasp-59107",
"created_at": "2022-09-04T14:38:35.503026Z",
"updated_at": "2022-09-04T14:38:35.503038Z",
"structure_string": "Zr6 Co23\n1.0\n7.013463 0.000000 4.049225\n2.337821 6.612356 4.049225\n-0.000000 0.000000 8.098449\nZr Co\n6 23\ndirect\n0.211139 0.788861 0.788860 Zr\n0.788860 0.211140 0.788860 Zr\n0.211140 0.211140 0.788860 Zr\n0.788860 0.788861 0.211139 Zr\n0.788860 0.211140 0.211139 Zr\n0.211139 0.788861 0.211139 Zr\n0.825375 0.825376 0.825375 Co\n0.174624 0.174624 0.476129 Co\n0.174624 0.476129 0.174624 Co\n0.476129 0.174624 0.174624 Co\n0.825375 0.523871 0.825375 Co\n0.523871 0.825376 0.825375 Co\n0.825375 0.825376 0.523870 Co\n0.174624 0.174624 0.174624 Co\n0.500000 0.500000 0.500000 Co\n0.379242 0.862273 0.379242 Co\n0.862272 0.379243 0.379242 Co\n0.620757 0.137728 0.620757 Co\n0.137728 0.620758 0.620757 Co\n0.620757 0.620758 0.137727 Co\n0.379242 0.379243 0.379242 Co\n0.500000 0.000000 0.500000 Co\n-0.000000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000001 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n0.379242 0.379243 0.862272 Co\n0.620757 0.620758 0.620757 Co\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Zr",
"Co"
],
"chemical_system": "Co-Zr",
"density": 8.413047859429453,
"density_atomic": 0.07721601930637106,
"volume": 375.56973618306193,
"volume_molar": 7.7990821258291865,
"formula_full": "Zr6 Co23",
"formula_reduced": "Zr6Co23",
"formula_anonymous": "A6B23",
"energy_above_hull": 4.4870606103448285,
"spacegroup": 225
},
{
"id": "jvasp-92212",
"created_at": "2022-09-04T14:35:46.154671Z",
"updated_at": "2022-09-04T14:35:46.154704Z",
"structure_string": "Zr6 Co2\n1.0\n3.264220 -0.000000 -0.000000\n-1.632110 5.344657 0.000000\n-0.000000 0.000000 9.049856\nZr Co\n6 2\ndirect\n0.414998 0.829996 0.750000 Zr\n0.585002 0.170005 0.250000 Zr\n0.134297 0.268595 0.944570 Zr\n0.865703 0.731405 0.055430 Zr\n0.865703 0.731405 0.444570 Zr\n0.134297 0.268595 0.555430 Zr\n0.722365 0.444729 0.750000 Co\n0.277635 0.555272 0.250000 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Co"
],
"chemical_system": "Co-Zr",
"density": 6.996280159745241,
"density_atomic": 0.05066978455696249,
"volume": 157.88502102286375,
"volume_molar": 11.885072756190558,
"formula_full": "Zr6 Co2",
"formula_reduced": "Zr3Co",
"formula_anonymous": "AB3",
"energy_above_hull": 3.9860736,
"spacegroup": 63
},
{
"id": "jvasp-91649",
"created_at": "2022-09-04T14:35:54.633633Z",
"updated_at": "2022-09-04T14:35:54.633662Z",
"structure_string": "Zr6 Co2\n1.0\n0.000000 0.000000 -3.306401\n-3.044651 -8.242747 0.000000\n-3.044651 8.242747 -0.000000\nZr Co\n6 2\ndirect\n0.750000 0.158018 0.325596 Zr\n0.750000 0.227612 0.772388 Zr\n0.750000 0.674404 0.841982 Zr\n0.250000 0.841982 0.674404 Zr\n0.250000 0.772388 0.227612 Zr\n0.250000 0.325596 0.158018 Zr\n0.750000 0.653931 0.346069 Co\n0.250000 0.346069 0.653931 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Co"
],
"chemical_system": "Co-Zr",
"density": 6.655996949998874,
"density_atomic": 0.04820532108029864,
"volume": 165.9567827932086,
"volume_molar": 12.4926888257181,
"formula_full": "Zr6 Co2",
"formula_reduced": "Zr3Co",
"formula_anonymous": "AB3",
"energy_above_hull": 4.0318461,
"spacegroup": 63
},
{
"id": "jvasp-110910",
"created_at": "2022-09-04T14:38:37.059774Z",
"updated_at": "2022-09-04T14:38:37.059794Z",
"structure_string": "Zr6 Co1 Sn2\n1.0\n7.949386 -0.000000 0.000000\n-3.974693 6.884370 0.000000\n-0.000000 -0.000000 3.511775\nZr Co Sn\n6 1 2\ndirect\n0.240919 0.000000 0.499999 Zr\n0.000000 0.240919 0.499999 Zr\n0.759081 0.759081 0.499999 Zr\n0.603889 0.000000 -0.000000 Zr\n0.000000 0.603888 -0.000000 Zr\n0.396112 0.396112 -0.000000 Zr\n0.000000 0.000000 0.000000 Co\n0.333334 0.666667 0.499999 Sn\n0.666667 0.333333 0.499999 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Sn"
],
"chemical_system": "Co-Sn-Zr",
"density": 7.289726438444847,
"density_atomic": 0.046829340064881035,
"volume": 192.18720544707006,
"volume_molar": 12.859760038592162,
"formula_full": "Zr6 Co1 Sn2",
"formula_reduced": "Zr6CoSn2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.8928601444444455,
"spacegroup": 189
},
{
"id": "jvasp-13422",
"created_at": "2022-09-04T14:36:39.405148Z",
"updated_at": "2022-09-04T14:36:39.405175Z",
"structure_string": "Zr6 Co1 Cl15\n1.0\n8.347962 -0.000000 -2.951451\n-4.173981 7.229548 -2.951451\n0.000000 0.000000 8.854351\nZr Co Cl\n6 1 15\ndirect\n0.000000 0.241296 0.241296 Zr\n0.758703 -0.000000 0.758704 Zr\n0.000000 0.758704 0.758704 Zr\n0.241296 0.241296 0.000000 Zr\n0.758704 0.758704 0.000000 Zr\n0.241296 -0.000000 0.241296 Zr\n0.000000 0.000000 0.000000 Co\n0.750602 0.249398 0.000000 Cl\n0.750602 0.750603 0.501205 Cl\n0.000000 0.750603 0.249398 Cl\n0.750602 0.000000 0.249398 Cl\n0.000000 0.249398 0.750602 Cl\n0.249398 0.498795 0.249398 Cl\n0.249398 -0.000000 0.750602 Cl\n0.498795 0.249398 0.249398 Cl\n0.750602 0.501205 0.750602 Cl\n0.501205 0.750603 0.750603 Cl\n0.000000 0.500000 0.500000 Cl\n0.500000 -0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.249398 0.249398 0.498795 Cl\n0.249398 0.750603 0.000000 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Cl"
],
"chemical_system": "Cl-Co-Zr",
"density": 3.5364747962580125,
"density_atomic": 0.041169381046304715,
"volume": 534.3777205505177,
"volume_molar": 14.627717509832557,
"formula_full": "Zr6 Co1 Cl15",
"formula_reduced": "Zr6CoCl15",
"formula_anonymous": "AB6C15",
"energy_above_hull": 1.6887722232954552,
"spacegroup": 229
},
{
"id": "jvasp-58909",
"created_at": "2022-09-04T14:37:01.450221Z",
"updated_at": "2022-09-04T14:37:01.450239Z",
"structure_string": "Zr6 Co1 Cl15\n1.0\n8.347622 -0.000000 -2.951330\n-4.173811 7.229253 -2.951330\n0.000000 0.000000 8.853990\nZr Co Cl\n6 1 15\ndirect\n-0.000000 0.241308 0.241308 Zr\n0.758692 -0.000000 0.758692 Zr\n-0.000000 0.758692 0.758692 Zr\n0.241308 0.241308 -0.000000 Zr\n0.758692 0.758692 -0.000000 Zr\n0.241308 -0.000000 0.241308 Zr\n0.000000 0.000000 0.000000 Co\n0.750595 0.249405 -0.000000 Cl\n0.750595 0.750595 0.501190 Cl\n-0.000000 0.750595 0.249405 Cl\n0.750595 0.000000 0.249405 Cl\n-0.000000 0.249405 0.750595 Cl\n0.249405 0.498810 0.249405 Cl\n0.249405 -0.000000 0.750595 Cl\n0.498810 0.249405 0.249405 Cl\n0.750595 0.501190 0.750595 Cl\n0.501190 0.750595 0.750595 Cl\n-0.000000 0.500000 0.500000 Cl\n0.500000 -0.000000 0.500000 Cl\n0.500000 0.500000 -0.000000 Cl\n0.249405 0.249405 0.498810 Cl\n0.249405 0.750595 -0.000000 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Cl"
],
"chemical_system": "Cl-Co-Zr",
"density": 3.5369073571891763,
"density_atomic": 0.04117441664441492,
"volume": 534.3123665841706,
"volume_molar": 14.625928551720891,
"formula_full": "Zr6 Co1 Cl15",
"formula_reduced": "Zr6CoCl15",
"formula_anonymous": "AB6C15",
"energy_above_hull": 1.688776314204546,
"spacegroup": 229
},
{
"id": "jvasp-18514",
"created_at": "2022-09-04T14:36:21.582670Z",
"updated_at": "2022-09-04T14:36:21.582686Z",
"structure_string": "Zr6 Co1 As2\n1.0\n3.756892 -6.507127 -0.000000\n3.756892 6.507127 0.000000\n0.000000 -0.000000 3.583272\nZr Co As\n6 1 2\ndirect\n-0.000000 0.752981 0.000000 Zr\n0.247019 0.247019 0.000000 Zr\n0.752981 -0.000000 0.000000 Zr\n0.414617 -0.000000 0.500000 Zr\n0.585382 0.585382 0.500000 Zr\n-0.000000 0.414617 0.500000 Zr\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.000000 As\n0.666667 0.333333 0.000000 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Co",
"As"
],
"chemical_system": "As-Co-Zr",
"density": 7.1665854731251155,
"density_atomic": 0.05137061254958038,
"volume": 175.19744370020203,
"volume_molar": 11.722929630608798,
"formula_full": "Zr6 Co1 As2",
"formula_reduced": "Zr6CoAs2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.360619044444444,
"spacegroup": 189
},
{
"id": "jvasp-55005",
"created_at": "2022-09-04T14:37:01.774939Z",
"updated_at": "2022-09-04T14:37:01.774963Z",
"structure_string": "Zr6 Cl12\n1.0\n7.681127 0.001844 -2.425316\n-3.309638 6.931522 -2.425316\n0.001162 0.001844 8.054928\nZr Cl\n6 12\ndirect\n0.035896 0.106025 0.306216 Zr\n0.693783 0.964103 0.893974 Zr\n0.306216 0.035896 0.106025 Zr\n0.106025 0.306216 0.035896 Zr\n0.893974 0.693783 0.964103 Zr\n0.964104 0.893974 0.693783 Zr\n0.379518 0.150809 0.459776 Cl\n0.620481 0.849189 0.540222 Cl\n0.540223 0.620480 0.849189 Cl\n0.150809 0.459776 0.379518 Cl\n0.312979 0.921246 0.771092 Cl\n0.771093 0.312979 0.921246 Cl\n0.921247 0.771092 0.312979 Cl\n0.849190 0.540222 0.620480 Cl\n0.228906 0.687020 0.078752 Cl\n0.459776 0.379518 0.150809 Cl\n0.078752 0.228906 0.687020 Cl\n0.687020 0.078752 0.228906 Cl\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Zr",
"Cl"
],
"chemical_system": "Cl-Zr",
"density": 3.7655567472858094,
"density_atomic": 0.041960240756971835,
"volume": 428.97751955842244,
"volume_molar": 14.352016698091518,
"formula_full": "Zr6 Cl12",
"formula_reduced": "ZrCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7745575450000002,
"spacegroup": 148
}
]
}