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=structure_string&page=4639",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=4637",
"results": [
{
"id": "jvasp-17164",
"created_at": "2022-09-04T14:38:12.937595Z",
"updated_at": "2022-09-04T14:38:12.937621Z",
"structure_string": "Zr6 Al2 Ni1\n1.0\n3.965338 -6.868166 0.000000\n3.965338 6.868166 0.000000\n-0.000000 0.000000 3.360981\nZr Al Ni\n6 2 1\ndirect\n0.254886 0.000000 0.000000 Zr\n0.745114 0.745114 0.000000 Zr\n0.000000 0.254886 0.000000 Zr\n0.597813 0.000000 0.500000 Zr\n0.402188 0.402188 0.500000 Zr\n0.000000 0.597813 0.500000 Zr\n0.666667 0.333333 0.000000 Al\n0.333333 0.666667 0.000000 Al\n0.000000 0.000000 0.500000 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Zr",
"density": 5.986545653664129,
"density_atomic": 0.04916153800697781,
"volume": 183.06994379880004,
"volume_molar": 12.249699672018478,
"formula_full": "Zr6 Al2 Ni1",
"formula_reduced": "Zr6Al2Ni",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.9425172222222233,
"spacegroup": 189
},
{
"id": "jvasp-98097",
"created_at": "2022-09-04T14:35:52.306447Z",
"updated_at": "2022-09-04T14:35:52.306479Z",
"structure_string": "Zr6 Al6 C10\n1.0\n3.353611 -0.000000 0.000000\n-1.676806 2.904313 -0.000000\n0.000000 -0.000000 27.728306\nZr Al C\n6 6 10\ndirect\n0.333332 0.666666 0.904508 Zr\n0.666666 0.333333 0.095062 Zr\n0.000000 0.000000 0.999784 Zr\n0.333332 0.666666 0.595062 Zr\n0.000000 0.000000 0.499784 Zr\n0.666666 0.333333 0.404508 Zr\n0.000000 0.000000 0.749787 Al\n0.333332 0.666666 0.322822 Al\n0.666666 0.333333 0.676754 Al\n0.666666 0.333333 0.822822 Al\n0.000000 0.000000 0.249787 Al\n0.333332 0.666666 0.176754 Al\n0.333332 0.666666 0.249788 C\n0.666666 0.333333 0.949821 C\n0.666666 0.333333 0.549747 C\n0.000000 0.000000 0.347683 C\n0.000000 0.000000 0.651894 C\n0.666666 0.333333 0.749789 C\n0.333332 0.666666 0.049747 C\n0.333332 0.666666 0.449821 C\n0.000000 0.000000 0.151894 C\n0.000000 0.000000 0.847683 C\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zr",
"Al",
"C"
],
"chemical_system": "Al-C-Zr",
"density": 5.099204022864857,
"density_atomic": 0.0814597810481735,
"volume": 270.07192650063337,
"volume_molar": 7.392777985050857,
"formula_full": "Zr6 Al6 C10",
"formula_reduced": "Zr3Al3C5",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 5.2359929,
"spacegroup": 194
},
{
"id": "jvasp-86067",
"created_at": "2022-09-04T14:35:52.568736Z",
"updated_at": "2022-09-04T14:35:52.568755Z",
"structure_string": "Zr6 Al6 Pt6\n1.0\n7.108265 -0.000000 0.000000\n-3.554132 6.155938 -0.000000\n0.000000 0.000000 7.394575\nZr Al Pt\n6 6 6\ndirect\n0.017482 0.605307 0.750000 Zr\n0.982517 0.587824 0.250000 Zr\n0.605306 0.017482 0.250000 Zr\n0.587824 0.982518 0.750000 Zr\n0.412176 0.394694 0.250000 Zr\n0.394693 0.412176 0.750000 Zr\n0.742691 0.742692 0.500000 Al\n0.257309 0.000000 0.000000 Al\n0.257309 0.000000 0.500000 Al\n0.000000 0.257309 0.000000 Al\n0.742691 0.742692 0.000000 Al\n0.000000 0.257309 0.500000 Al\n0.333333 0.666667 0.476665 Pt\n0.666667 0.333333 0.523335 Pt\n0.666667 0.333333 0.976666 Pt\n0.000000 0.000000 0.250000 Pt\n0.000000 0.000000 0.750000 Pt\n0.333333 0.666667 0.023335 Pt\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Pt"
],
"chemical_system": "Al-Pt-Zr",
"density": 9.646620096832013,
"density_atomic": 0.05562902390010702,
"volume": 323.5720984844634,
"volume_molar": 10.825537350455674,
"formula_full": "Zr6 Al6 Pt6",
"formula_reduced": "ZrAlPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1911229,
"spacegroup": 190
},
{
"id": "jvasp-86667",
"created_at": "2022-09-04T14:36:03.871526Z",
"updated_at": "2022-09-04T14:36:03.871551Z",
"structure_string": "Zr6 Al6 Pt6\n1.0\n7.108306 0.000000 0.000000\n-3.554153 6.155974 -0.000000\n-0.000000 -0.000000 7.394539\nZr Al Pt\n6 6 6\ndirect\n0.017480 0.605306 0.750000 Zr\n0.982520 0.587826 0.250000 Zr\n0.605307 0.017480 0.250000 Zr\n0.587827 0.982519 0.750000 Zr\n0.412174 0.394693 0.250000 Zr\n0.394694 0.412173 0.750000 Zr\n0.742691 0.742690 0.500000 Al\n0.257310 0.000000 0.000000 Al\n0.257310 0.000000 0.500000 Al\n0.000000 0.257309 0.000000 Al\n0.742691 0.742690 0.000000 Al\n0.000000 0.257309 0.500000 Al\n0.333333 0.666667 0.476668 Pt\n0.666667 0.333333 0.523332 Pt\n0.666667 0.333333 0.976669 Pt\n0.000000 0.000000 0.250000 Pt\n0.000000 0.000000 0.750000 Pt\n0.333333 0.666667 0.023332 Pt\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Pt"
],
"chemical_system": "Al-Pt-Zr",
"density": 9.64655500680951,
"density_atomic": 0.05562864854642034,
"volume": 323.5742817835952,
"volume_molar": 10.825610395648413,
"formula_full": "Zr6 Al6 Pt6",
"formula_reduced": "ZrAlPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1911229,
"spacegroup": 190
},
{
"id": "jvasp-16454",
"created_at": "2022-09-04T14:37:54.310830Z",
"updated_at": "2022-09-04T14:37:54.310855Z",
"structure_string": "Zr6 Au2\n1.0\n5.513513 0.000000 -0.000000\n-0.000000 5.513513 0.000000\n0.000000 0.000000 5.513513\nZr Au\n6 2\ndirect\n0.500000 0.250000 0.000000 Zr\n0.500000 0.750000 0.000000 Zr\n0.250000 0.000000 0.500000 Zr\n0.750000 0.000000 0.500000 Zr\n0.000000 0.500000 0.250000 Zr\n0.000000 0.500000 0.750000 Zr\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Au"
],
"chemical_system": "Au-Zr",
"density": 9.325699116054336,
"density_atomic": 0.04773146654854351,
"volume": 167.60432013677809,
"volume_molar": 12.61671009809725,
"formula_full": "Zr6 Au2",
"formula_reduced": "Zr3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 3.2421452675,
"spacegroup": 223
},
{
"id": "jvasp-32108",
"created_at": "2022-09-04T14:37:56.160831Z",
"updated_at": "2022-09-04T14:37:56.160853Z",
"structure_string": "Zr6 B1 I12\n1.0\n7.334550 4.234614 3.349153\n-7.334559 4.234600 3.349153\n0.000007 -8.469214 3.349153\nZr B I\n6 1 12\ndirect\n0.719541 0.969841 0.906925 Zr\n0.093074 0.280458 0.030158 Zr\n0.030158 0.093074 0.280458 Zr\n0.969841 0.906925 0.719541 Zr\n0.906925 0.719541 0.969841 Zr\n0.280458 0.030158 0.093074 Zr\n0.000000 0.000000 0.000000 B\n0.850864 0.546096 0.621968 I\n0.378031 0.149135 0.453903 I\n0.920747 0.770240 0.311919 I\n0.453903 0.378031 0.149135 I\n0.546096 0.621968 0.850864 I\n0.149135 0.453903 0.378031 I\n0.621968 0.850864 0.546096 I\n0.770240 0.311919 0.920747 I\n0.229759 0.688080 0.079252 I\n0.311919 0.920747 0.770240 I\n0.079252 0.229759 0.688080 I\n0.688080 0.079252 0.229759 I\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Zr",
"B",
"I"
],
"chemical_system": "B-I-Zr",
"density": 5.536685963800044,
"density_atomic": 0.03044251379751169,
"volume": 624.1271705214115,
"volume_molar": 19.782008805370854,
"formula_full": "Zr6 B1 I12",
"formula_reduced": "Zr6BI12",
"formula_anonymous": "AB6C12",
"energy_above_hull": 1.7060886780701765,
"spacegroup": 148
},
{
"id": "jvasp-34904",
"created_at": "2022-09-04T14:37:07.206239Z",
"updated_at": "2022-09-04T14:37:07.206273Z",
"structure_string": "Zr6 Br12\n1.0\n8.071814 -0.009653 -2.518003\n-3.420562 7.311226 -2.518005\n-0.006150 -0.009652 8.455441\nZr Br\n6 12\ndirect\n0.293785 0.033286 0.099404 Zr\n0.033286 0.099404 0.293785 Zr\n0.706215 0.966715 0.900597 Zr\n0.900596 0.706216 0.966715 Zr\n0.966714 0.900597 0.706216 Zr\n0.099404 0.293785 0.033286 Zr\n0.078695 0.230001 0.686495 Br\n0.230001 0.686496 0.078695 Br\n0.686495 0.078695 0.230001 Br\n0.620254 0.849908 0.542349 Br\n0.313505 0.921306 0.770000 Br\n0.457652 0.379746 0.150093 Br\n0.150093 0.457652 0.379746 Br\n0.379746 0.150093 0.457652 Br\n0.542348 0.620255 0.849908 Br\n0.849908 0.542349 0.620255 Br\n0.769999 0.313506 0.921306 Br\n0.921305 0.770000 0.313506 Br\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Zr",
"Br"
],
"chemical_system": "Br-Zr",
"density": 5.018997250037452,
"density_atomic": 0.03612102193053906,
"volume": 498.3247715032567,
"volume_molar": 16.67212176770805,
"formula_full": "Zr6 Br12",
"formula_reduced": "ZrBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7910709033333336,
"spacegroup": 148
},
{
"id": "jvasp-12901",
"created_at": "2022-09-04T14:38:14.287566Z",
"updated_at": "2022-09-04T14:38:14.287591Z",
"structure_string": "Zr6 C1 I12\n1.0\n8.687586 -0.007760 -2.684217\n-3.636678 7.889793 -2.684208\n-0.004969 -0.007767 9.092807\nZr C I\n6 1 12\ndirect\n0.971961 0.910534 0.727401 Zr\n0.910535 0.727401 0.971960 Zr\n0.727401 0.971960 0.910534 Zr\n0.028039 0.089465 0.272598 Zr\n0.089465 0.272598 0.028039 Zr\n0.272598 0.028039 0.089465 Zr\n0.000000 0.000000 0.000000 C\n0.079742 0.229916 0.688755 I\n0.311244 0.920257 0.770084 I\n0.770084 0.311244 0.920257 I\n0.920258 0.770084 0.311244 I\n0.451363 0.376114 0.147665 I\n0.548636 0.623886 0.852335 I\n0.852335 0.548636 0.623886 I\n0.229916 0.688755 0.079742 I\n0.376114 0.147665 0.451363 I\n0.147665 0.451363 0.376114 I\n0.623886 0.852334 0.548636 I\n0.688755 0.079742 0.229916 I\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Zr",
"C",
"I"
],
"chemical_system": "C-I-Zr",
"density": 5.553183748382991,
"density_atomic": 0.030515631783455895,
"volume": 622.6317100306894,
"volume_molar": 19.734609470759555,
"formula_full": "Zr6 C1 I12",
"formula_reduced": "Zr6CI12",
"formula_anonymous": "AB6C12",
"energy_above_hull": 1.8099232789473687,
"spacegroup": 148
},
{
"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
},
{
"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-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-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
}
]
}