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=4498",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=4496",
"results": [
{
"id": "jvasp-9090",
"created_at": "2022-09-04T14:37:00.272167Z",
"updated_at": "2022-09-04T14:37:00.272201Z",
"structure_string": "B12 O2\n1.0\n4.588541 -0.004789 2.326002\n1.426639 4.361127 2.326002\n-0.006613 -0.004789 5.144409\nB O\n12 2\ndirect\n0.798668 0.323572 0.798667 B\n0.798668 0.798668 0.323572 B\n0.323573 0.798668 0.798667 B\n0.676428 0.201332 0.201332 B\n0.201333 0.676428 0.201332 B\n0.201333 0.201332 0.676427 B\n0.997540 0.666698 0.997538 B\n0.997539 0.997539 0.666698 B\n0.666699 0.997539 0.997538 B\n0.333301 0.002461 0.002461 B\n0.002461 0.333302 0.002461 B\n0.002461 0.002461 0.333301 B\n0.377759 0.377759 0.377758 O\n0.622242 0.622242 0.622241 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 2.6052728232737294,
"density_atomic": 0.13581239647321633,
"volume": 103.08337356200728,
"volume_molar": 4.434161325757646,
"formula_full": "B12 O2",
"formula_reduced": "B6O",
"formula_anonymous": "AB6",
"energy_above_hull": 4.663505571428572,
"spacegroup": 166
},
{
"id": "jvasp-98154",
"created_at": "2022-09-04T14:36:14.590521Z",
"updated_at": "2022-09-04T14:36:14.590548Z",
"structure_string": "B12 H24 N12 Cl24\n1.0\n10.245741 0.000000 0.000000\n0.000000 11.946005 0.000000\n0.000000 0.000000 8.105349\nB H N Cl\n12 24 12 24\ndirect\n0.537388 0.250000 0.795275 B\n0.667864 0.364700 0.036461 B\n0.832136 0.635300 0.536461 B\n0.332136 0.864700 0.963539 B\n0.832136 0.864700 0.536461 B\n0.332136 0.635300 0.963539 B\n0.167864 0.135300 0.463539 B\n0.667864 0.135300 0.036461 B\n0.962612 0.750000 0.295275 B\n0.462612 0.750000 0.204725 B\n0.037388 0.250000 0.704725 B\n0.167864 0.364700 0.463539 B\n0.809476 0.630355 0.275549 H\n0.554117 0.426404 0.836696 H\n0.945883 0.573596 0.336696 H\n0.445883 0.926404 0.163304 H\n0.945883 0.926404 0.336696 H\n0.445883 0.573596 0.163304 H\n0.054117 0.426404 0.663304 H\n0.554117 0.073596 0.836696 H\n0.190524 0.130355 0.724452 H\n0.690524 0.369646 0.775549 H\n0.309476 0.869646 0.224451 H\n0.054117 0.073596 0.663304 H\n0.309476 0.630355 0.224451 H\n0.809476 0.869646 0.275549 H\n0.828297 0.250000 0.026600 H\n0.328297 0.250000 0.473400 H\n0.671703 0.750000 0.526600 H\n0.756275 0.250000 0.206215 H\n0.171703 0.750000 0.973400 H\n0.243725 0.750000 0.793785 H\n0.743725 0.750000 0.706215 H\n0.690524 0.130355 0.775549 H\n0.190524 0.369646 0.724452 H\n0.256275 0.250000 0.293785 H\n0.887084 0.856900 0.355101 N\n0.612916 0.356900 0.855101 N\n0.887084 0.643101 0.355101 N\n0.387084 0.856900 0.144899 N\n0.387084 0.643101 0.144899 N\n0.112916 0.143101 0.644899 N\n0.612916 0.143101 0.855101 N\n0.763473 0.750000 0.581502 N\n0.263473 0.750000 0.918499 N\n0.236527 0.250000 0.418499 N\n0.736527 0.250000 0.081501 N\n0.112916 0.356900 0.644899 N\n0.707036 0.522688 0.535823 Cl\n0.792964 0.477313 0.035823 Cl\n0.292964 0.022688 0.464177 Cl\n0.368030 0.250000 0.874072 Cl\n0.631969 0.750000 0.125929 Cl\n0.207036 0.977313 0.964178 Cl\n0.131970 0.750000 0.374071 Cl\n0.538496 0.250000 0.565008 Cl\n0.038496 0.250000 0.934992 Cl\n0.868030 0.250000 0.625929 Cl\n0.707036 0.977313 0.535823 Cl\n0.792964 0.022688 0.035823 Cl\n0.292964 0.477313 0.464177 Cl\n0.035609 0.105286 0.315159 Cl\n0.535609 0.394714 0.184841 Cl\n0.964391 0.605287 0.684841 Cl\n0.464391 0.894714 0.815159 Cl\n0.964391 0.894714 0.684841 Cl\n0.464391 0.605287 0.815159 Cl\n0.035609 0.394714 0.315159 Cl\n0.535609 0.105286 0.184841 Cl\n0.461504 0.750000 0.434992 Cl\n0.207036 0.522688 0.964178 Cl\n0.961504 0.750000 0.065008 Cl\n",
"nsites": 72,
"nelements": 4,
"elements": [
"B",
"H",
"N",
"Cl"
],
"chemical_system": "B-Cl-H-N",
"density": 1.9631931368587001,
"density_atomic": 0.07257628125667011,
"volume": 992.059647495136,
"volume_molar": 8.297670610460681,
"formula_full": "B12 H24 N12 Cl24",
"formula_reduced": "BH2NCl2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.628647328055555,
"spacegroup": 62
},
{
"id": "jvasp-62936",
"created_at": "2022-09-04T14:35:45.313647Z",
"updated_at": "2022-09-04T14:35:45.313675Z",
"structure_string": "B12 H24 N12\n1.0\n5.270454 -0.000000 -0.000000\n-0.000000 5.270454 0.000000\n0.000000 -0.000000 16.105061\nB H N\n12 24 12\ndirect\n0.339813 0.560493 0.059086 B\n0.342598 0.657401 0.750000 B\n0.842598 0.842598 0.500000 B\n0.157401 0.157401 0.000000 B\n0.439506 0.660186 0.440914 B\n0.560493 0.339813 0.940914 B\n0.657401 0.342598 0.250000 B\n0.160186 0.060494 0.690914 B\n0.060494 0.160186 0.309086 B\n0.939505 0.839813 0.809086 B\n0.660186 0.439506 0.559086 B\n0.839813 0.939505 0.190914 B\n0.126772 0.504190 0.848951 H\n0.873227 0.495809 0.348951 H\n0.495809 0.873227 0.651049 H\n0.504190 0.126772 0.151049 H\n0.373228 0.004190 0.901049 H\n-0.003849 -0.003849 0.000000 H\n0.003849 0.003849 0.500000 H\n0.503849 0.496150 0.750000 H\n0.496150 0.503849 0.250000 H\n0.995809 0.626771 0.598951 H\n0.626771 0.995809 0.401049 H\n0.004190 0.373228 0.098951 H\n0.267526 0.671511 0.392330 H\n0.732474 0.328488 0.892330 H\n0.828487 0.767525 0.142330 H\n0.171512 0.232474 0.642330 H\n0.232474 0.171512 0.357670 H\n0.767525 0.828487 0.857670 H\n0.671511 0.267526 0.607670 H\n0.328488 0.732474 0.107670 H\n0.178725 0.821274 0.250000 H\n0.821274 0.178725 0.750000 H\n0.321274 0.321274 0.500000 H\n0.678725 0.678725 0.000000 H\n0.652406 0.136956 0.191712 N\n0.347593 0.863043 0.691712 N\n0.863043 0.347593 0.308288 N\n0.136956 0.652406 0.808288 N\n0.847593 0.636956 0.558288 N\n0.541889 0.541889 0.000000 N\n0.041889 0.958110 0.250000 N\n0.958110 0.041889 0.750000 N\n0.458110 0.458110 0.500000 N\n0.363043 0.152406 0.941712 N\n0.152406 0.363043 0.058288 N\n0.636956 0.847593 0.441712 N\n",
"nsites": 48,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 1.1952273788794123,
"density_atomic": 0.10729582140445051,
"volume": 447.36131726010547,
"volume_molar": 5.612651714832027,
"formula_full": "B12 H24 N12",
"formula_reduced": "BH2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.547063958333334,
"spacegroup": 96
},
{
"id": "jvasp-30980",
"created_at": "2022-09-04T14:38:32.690254Z",
"updated_at": "2022-09-04T14:38:32.690279Z",
"structure_string": "B12 H20 N2\n1.0\n6.611131 -0.000000 3.816938\n2.203710 6.233034 3.816938\n-0.000000 -0.000000 7.633876\nB H N\n12 20 2\ndirect\n0.215732 0.784268 0.948244 B\n0.215732 0.948242 0.051758 B\n0.051757 0.215732 0.948244 B\n0.948243 0.051757 0.215732 B\n0.784268 0.215732 0.051757 B\n0.948243 0.784268 0.051758 B\n0.784268 0.948242 0.215733 B\n0.051757 0.948242 0.784269 B\n0.215732 0.051757 0.784269 B\n0.051757 0.784268 0.215732 B\n0.784268 0.051757 0.948244 B\n0.948243 0.215732 0.784269 B\n0.909503 0.368649 0.631352 H\n0.194632 0.194632 0.194632 H\n0.416103 0.194632 0.194632 H\n0.194632 0.416102 0.194632 H\n0.909503 0.090497 0.368649 H\n0.805368 0.805367 0.805369 H\n0.631351 0.090497 0.909504 H\n0.583897 0.805367 0.805369 H\n0.194632 0.194632 0.416103 H\n0.090497 0.631351 0.368649 H\n0.805368 0.805367 0.583898 H\n0.368649 0.090497 0.631352 H\n0.090497 0.909502 0.631352 H\n0.631351 0.909502 0.368650 H\n0.909503 0.631351 0.090498 H\n0.631351 0.368649 0.090498 H\n0.805368 0.583897 0.805369 H\n0.090497 0.368649 0.909504 H\n0.368649 0.909502 0.090498 H\n0.368649 0.631351 0.909504 H\n0.750000 0.750000 0.750001 N\n0.250000 0.250000 0.250000 N\n",
"nsites": 34,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 0.939106699159531,
"density_atomic": 0.10808329028790228,
"volume": 314.5722147191665,
"volume_molar": 5.571759283011072,
"formula_full": "B12 H20 N2",
"formula_reduced": "B6H10N",
"formula_anonymous": "AB6C10",
"energy_above_hull": 4.240876397058823,
"spacegroup": 202
},
{
"id": "jvasp-99219",
"created_at": "2022-09-04T14:36:39.616350Z",
"updated_at": "2022-09-04T14:36:39.616371Z",
"structure_string": "B12 H12 O24\n1.0\n7.969147 -0.000001 -0.000001\n-0.000001 9.650271 -0.000001\n-0.000001 -0.000001 5.953322\nB H O\n12 12 24\ndirect\n0.502932 0.669536 0.250000 B\n0.741224 0.707650 0.750000 B\n0.758778 0.207650 0.750000 B\n0.258777 0.292350 0.250000 B\n0.000595 0.582047 0.750000 B\n0.499406 0.082047 0.750000 B\n0.241224 0.792350 0.250000 B\n0.500595 0.917953 0.250000 B\n0.002932 0.830465 0.750000 B\n0.497068 0.330464 0.750000 B\n-0.002932 0.169536 0.250000 B\n-0.000594 0.417953 0.250000 B\n0.205297 0.458673 0.750000 H\n0.986283 0.297185 0.750000 H\n0.486283 0.202815 0.250000 H\n0.013718 0.702815 0.250000 H\n0.294704 0.958673 0.750000 H\n0.513718 0.797185 0.750000 H\n0.705297 0.041327 0.250000 H\n0.028177 0.040534 0.750000 H\n0.471824 0.540533 0.750000 H\n0.971824 0.959467 0.250000 H\n0.528177 0.459467 0.250000 H\n0.794704 0.541327 0.250000 H\n0.170044 0.169560 0.250000 O\n0.670044 0.330440 0.750000 O\n0.829955 0.830440 0.750000 O\n0.327758 0.915387 0.250000 O\n0.672243 0.084613 0.750000 O\n0.329956 0.669560 0.250000 O\n0.827758 0.584613 0.750000 O\n0.069381 0.796078 0.250000 O\n0.430619 0.296078 0.250000 O\n0.172242 0.415387 0.250000 O\n0.078666 0.456218 0.750000 O\n0.578666 0.043782 0.250000 O\n0.921335 0.543783 0.250000 O\n0.090635 0.705725 0.750000 O\n0.409367 0.205725 0.750000 O\n0.909366 0.294275 0.250000 O\n0.590635 0.794275 0.250000 O\n0.091870 0.951415 0.750000 O\n0.408131 0.451415 0.750000 O\n0.908131 0.048585 0.250000 O\n0.591870 0.548585 0.250000 O\n0.930620 0.203922 0.750000 O\n0.421335 0.956217 0.750000 O\n0.569381 0.703922 0.750000 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"B",
"H",
"O"
],
"chemical_system": "B-H-O",
"density": 1.9070830102455898,
"density_atomic": 0.10484084603790465,
"volume": 457.83682423399995,
"volume_molar": 5.744078751351097,
"formula_full": "B12 H12 O24",
"formula_reduced": "BHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.471059895833333,
"spacegroup": 62
},
{
"id": "jvasp-4573",
"created_at": "2022-09-04T14:37:55.501967Z",
"updated_at": "2022-09-04T14:37:55.501990Z",
"structure_string": "B12 C3\n1.0\n5.976302 0.189841 3.002343\n1.932133 5.658540 3.002343\n0.256710 0.189841 6.683139\nB C\n12 3\ndirect\n0.496952 0.873451 0.496952 B\n0.496952 0.496952 0.873451 B\n0.873451 0.496952 0.496952 B\n0.126548 0.503048 0.503048 B\n0.503048 0.126549 0.503048 B\n0.503047 0.503048 0.126549 B\n0.342052 0.099105 0.342052 B\n0.342052 0.342052 0.099105 B\n0.099105 0.342052 0.342052 B\n0.900895 0.657948 0.657948 B\n0.657947 0.900895 0.657948 B\n0.657947 0.657948 0.900895 B\n0.415086 0.415086 0.415086 C\n0.584913 0.584913 0.584913 C\n0.500000 0.500000 0.500000 C\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 1.2682739451561178,
"density_atomic": 0.06911379685900111,
"volume": 217.03336644348255,
"volume_molar": 8.713369882262084,
"formula_full": "B12 C3",
"formula_reduced": "B4C",
"formula_anonymous": "AB4",
"energy_above_hull": 5.286978066666668,
"spacegroup": 166
},
{
"id": "jvasp-52866",
"created_at": "2022-09-04T14:37:04.949957Z",
"updated_at": "2022-09-04T14:37:04.949978Z",
"structure_string": "B12 C3\n1.0\n2.822389 1.629508 4.034499\n-2.822389 1.629508 4.034499\n0.000000 -3.259015 4.034499\nB C\n12 3\ndirect\n0.308509 0.806522 0.806520 B\n0.806522 0.806522 0.308507 B\n0.806522 0.308509 0.806520 B\n0.691492 0.193479 0.193478 B\n0.193479 0.193479 0.691491 B\n0.193479 0.691492 0.193478 B\n0.670040 0.994112 0.994110 B\n0.994112 0.994112 0.670038 B\n0.994112 0.670040 0.994110 B\n0.329961 0.005889 0.005889 B\n0.005889 0.005889 0.329961 B\n0.005889 0.329961 0.005889 B\n0.609747 0.609747 0.609745 C\n0.390254 0.390254 0.390253 C\n0.500000 0.500000 0.499999 C\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 2.472438148880512,
"density_atomic": 0.13473397338233425,
"volume": 111.33049537130876,
"volume_molar": 4.469652760043665,
"formula_full": "B12 C3",
"formula_reduced": "B4C",
"formula_anonymous": "AB4",
"energy_above_hull": 5.087842066666667,
"spacegroup": 166
},
{
"id": "jvasp-9166",
"created_at": "2022-09-04T14:37:10.059456Z",
"updated_at": "2022-09-04T14:37:10.059484Z",
"structure_string": "B12 As2\n1.0\n5.021419 -0.013676 1.787049\n1.256418 4.861713 1.787049\n-0.017709 -0.013676 5.329904\nB As\n12 2\ndirect\n0.015219 0.015219 0.325120 B\n0.015219 0.325120 0.015219 B\n0.822219 0.271714 0.822218 B\n0.822219 0.822217 0.271716 B\n0.271716 0.822217 0.822218 B\n0.728285 0.177781 0.177782 B\n0.177782 0.728283 0.177782 B\n0.177782 0.177781 0.728284 B\n0.984782 0.674878 0.984781 B\n0.984782 0.984779 0.674880 B\n0.674881 0.984779 0.984781 B\n0.325120 0.015219 0.015219 B\n0.601226 0.601224 0.601226 As\n0.398775 0.398774 0.398775 As\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"As"
],
"chemical_system": "As-B",
"density": 3.558658073678119,
"density_atomic": 0.10731651370124577,
"volume": 130.45522554873568,
"volume_molar": 5.611569508085961,
"formula_full": "B12 As2",
"formula_reduced": "B6As",
"formula_anonymous": "AB6",
"energy_above_hull": 4.731905321428571,
"spacegroup": 166
},
{
"id": "jvasp-828",
"created_at": "2022-09-04T14:37:52.249025Z",
"updated_at": "2022-09-04T14:37:52.249047Z",
"structure_string": "B12\n1.0\n4.286671 -0.004447 2.664594\n1.478909 4.023480 2.664594\n-0.006380 -0.004447 5.047333\nB\n12\ndirect\n0.009804 0.654471 0.009803 B\n0.009804 0.009803 0.654470 B\n0.654471 0.009803 0.009804 B\n0.345530 0.990195 0.990195 B\n0.990196 0.345528 0.990195 B\n0.990196 0.990195 0.345528 B\n0.220638 0.631586 0.220637 B\n0.220638 0.220637 0.631586 B\n0.631587 0.220637 0.220637 B\n0.368414 0.779361 0.779361 B\n0.779363 0.368412 0.779361 B\n0.779362 0.779361 0.368412 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.4708112850685735,
"density_atomic": 0.1376336449470123,
"volume": 87.18798375658722,
"volume_molar": 4.375485923023015,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy_above_hull": 2.583333333916471e-06,
"spacegroup": 166
},
{
"id": "jvasp-25290",
"created_at": "2022-09-04T14:37:51.628206Z",
"updated_at": "2022-09-04T14:37:51.628226Z",
"structure_string": "B12\n1.0\n6.375829 1.562720 7.431867\n-1.054257 1.414903 2.341497\n-4.229890 -3.668154 -1.522701\nB\n12\ndirect\n0.603371 0.034725 0.212157 B\n0.011481 0.860047 0.087263 B\n0.981803 0.309685 0.897493 B\n0.387106 0.128289 0.750396 B\n0.188852 0.576979 0.053840 B\n0.753891 0.408777 0.411895 B\n0.741346 0.038555 0.634499 B\n0.474947 0.336969 0.430871 B\n0.046711 0.099462 0.671598 B\n0.157261 0.860041 0.524465 B\n0.451229 0.925100 0.536106 B\n0.218010 0.398324 0.783283 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.237991912956309,
"density_atomic": 0.12466471486654421,
"volume": 96.25819152473267,
"volume_molar": 4.83066982220816,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy_above_hull": 0.2726325833333334,
"spacegroup": 8
},
{
"id": "jvasp-54823",
"created_at": "2022-09-04T14:37:32.356853Z",
"updated_at": "2022-09-04T14:37:32.356875Z",
"structure_string": "B10 W4\n1.0\n1.547161 -2.679762 -0.000000\n1.547161 2.679762 0.000000\n0.000000 -0.000000 14.395001\nB W\n10 4\ndirect\n0.333333 0.666666 0.973192 B\n0.666666 0.333333 0.473192 B\n0.000000 0.000000 0.000000 B\n0.333333 0.666666 0.526808 B\n0.000000 0.000000 0.250000 B\n0.666666 0.333333 0.250000 B\n0.666666 0.333333 0.026808 B\n0.333333 0.666666 0.750000 B\n0.000000 0.000000 0.750000 B\n0.000000 0.000000 0.500000 B\n0.666666 0.333333 0.865338 W\n0.333333 0.666666 0.134662 W\n0.333333 0.666666 0.365338 W\n0.666666 0.333333 0.634662 W\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"W"
],
"chemical_system": "B-W",
"density": 11.733979067129557,
"density_atomic": 0.1172882771150065,
"volume": 119.3640178231313,
"volume_molar": 5.134477978643182,
"formula_full": "B10 W4",
"formula_reduced": "B5W2",
"formula_anonymous": "A2B5",
"energy_above_hull": 6.269343273809524,
"spacegroup": 194
},
{
"id": "jvasp-62858",
"created_at": "2022-09-04T14:36:10.626690Z",
"updated_at": "2022-09-04T14:36:10.626724Z",
"structure_string": "B10 Mo4\n1.0\n1.955364 -3.386789 0.000000\n1.955364 3.386789 0.000000\n0.000000 0.000000 10.245996\nB Mo\n10 4\ndirect\n0.333332 0.666666 0.339235 B\n0.666666 0.333332 0.839235 B\n0.666666 0.333332 0.660765 B\n0.333332 0.666666 0.160765 B\n0.500000 -0.000001 0.000000 B\n-0.000001 0.500000 0.000000 B\n0.499999 0.499999 0.000000 B\n0.500000 -0.000001 0.500000 B\n-0.000001 0.500000 0.500000 B\n0.499999 0.499999 0.500000 B\n0.000000 0.000000 0.367943 Mo\n0.000000 0.000000 0.867943 Mo\n0.000000 0.000000 0.632058 Mo\n0.000000 0.000000 0.132058 Mo\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 6.018655687028882,
"density_atomic": 0.1031639832559481,
"volume": 135.70627614548613,
"volume_molar": 5.837444978311055,
"formula_full": "B10 Mo4",
"formula_reduced": "B5Mo2",
"formula_anonymous": "A2B5",
"energy_above_hull": 5.669013530952381,
"spacegroup": 194
}
]
}