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=-volume_molar&page=4614",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4612",
"results": [
{
"id": "jvasp-109213",
"created_at": "2022-09-04T14:38:19.021595Z",
"updated_at": "2022-09-04T14:38:19.021613Z",
"structure_string": "Co1 H1 O2\n1.0\n2.861521 -0.018907 3.641096\n1.279180 2.380580 3.760030\n0.160742 -0.124936 4.626028\nCo H O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.499999 0.500002 H\n0.406783 0.407014 0.407011 O\n0.593217 0.592983 0.592993 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"H",
"O"
],
"chemical_system": "Co-H-O",
"density": 4.9276378761815645,
"density_atomic": 0.1291057206639437,
"volume": 30.982360653187605,
"volume_molar": 4.664503423264533,
"formula_full": "Co1 H1 O2",
"formula_reduced": "CoHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3794169750000003,
"spacegroup": 166
},
{
"id": "jvasp-112200",
"created_at": "2022-09-04T14:38:45.567078Z",
"updated_at": "2022-09-04T14:38:45.567095Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.906190 0.102083 0.746012\n1.164504 4.371069 0.513901\n-0.033334 0.177806 16.905738\nCd H C O\n1 20 12 4\ndirect\n-0.023065 0.154599 0.861819 Cd\n0.732003 0.058567 0.507194 H\n0.898037 0.548606 0.589001 H\n0.728812 0.295392 0.025728 H\n0.538043 0.295330 0.208011 H\n0.713049 0.966716 0.151837 H\n0.706591 0.628093 0.288248 H\n0.287335 0.588314 0.335203 H\n0.808087 0.578971 0.439111 H\n0.358385 0.593777 0.474688 H\n0.513514 0.656996 0.068021 H\n0.441905 0.580210 0.622039 H\n0.005618 0.457581 0.135153 H\n0.180738 0.120471 0.081953 H\n0.998830 0.109927 0.265746 H\n0.175112 0.789720 0.207445 H\n0.605190 0.097029 0.361880 H\n0.158717 0.100260 0.396848 H\n0.824900 0.044138 0.651729 H\n0.371722 0.084054 0.682973 H\n0.277462 0.087490 0.539831 H\n0.283468 0.569553 0.971576 C\n0.470208 0.459138 0.044620 C\n0.255492 0.291704 0.110321 C\n0.462932 0.127269 0.178498 C\n0.250706 0.948319 0.240310 C\n0.430841 0.760796 0.310550 C\n0.633923 0.716014 0.602183 C\n0.540559 0.739419 0.455258 C\n0.541972 0.919782 0.525746 C\n0.629992 0.909642 0.670225 C\n0.719882 0.734959 0.749407 C\n0.429809 0.945884 0.380481 C\n0.359345 0.388324 0.914045 O\n0.610155 0.880699 0.813973 O\n0.910942 0.455278 0.747860 O\n0.053335 0.832236 0.971818 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9743298860459937,
"density_atomic": 0.12912358236539595,
"volume": 286.5471924043806,
"volume_molar": 4.663858181194548,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595764966216217,
"spacegroup": 1
},
{
"id": "jvasp-112002",
"created_at": "2022-09-04T14:38:41.585190Z",
"updated_at": "2022-09-04T14:38:41.585210Z",
"structure_string": "H10 C6 N2 O2\n1.0\n4.228194 -0.038838 -0.638672\n-1.206288 5.858627 -1.742040\n-0.056279 0.128345 6.230832\nH C N O\n10 6 2 2\ndirect\n0.887997 0.127571 0.032579 H\n0.250353 0.601263 0.253023 H\n0.720912 0.058858 0.473432 H\n0.720913 0.558862 0.973437 H\n0.720934 0.821749 0.710769 H\n0.250341 0.101275 0.753035 H\n0.888185 0.880606 0.279464 H\n0.888167 0.380607 0.779459 H\n0.888014 0.627578 0.532578 H\n0.720936 0.321754 0.210773 H\n0.956921 0.283374 0.176462 C\n0.956927 0.783378 0.676465 C\n0.956959 0.524565 0.935189 C\n0.956965 0.024567 0.435192 C\n0.124168 0.730997 0.882832 C\n0.124169 0.230998 0.382831 C\n0.152431 0.462816 0.114668 N\n0.152434 0.962826 0.614677 N\n0.372888 0.857352 0.009151 O\n0.372888 0.357355 0.509146 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.5240735300306325,
"density_atomic": 0.12912853826022352,
"volume": 154.88442965020968,
"volume_molar": 4.663679184429401,
"formula_full": "H10 C6 N2 O2",
"formula_reduced": "H5C3NO",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 4.593955674999999,
"spacegroup": 6
},
{
"id": "jvasp-105454",
"created_at": "2022-09-04T14:36:57.581689Z",
"updated_at": "2022-09-04T14:36:57.581714Z",
"structure_string": "Li1 B1 H4\n1.0\n3.494483 -0.000000 2.017541\n1.164828 3.294630 2.017541\n-0.000000 -0.000000 4.035082\nLi B H\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 B\n0.622759 0.622759 0.131722 H\n0.622758 0.131722 0.622759 H\n0.131723 0.622759 0.622758 H\n0.622759 0.622759 0.622758 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"B",
"H"
],
"chemical_system": "B-H-Li",
"density": 0.7786458899287863,
"density_atomic": 0.12915442934462393,
"volume": 46.45601417191931,
"volume_molar": 4.662744274864215,
"formula_full": "Li1 B1 H4",
"formula_reduced": "LiBH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.805477097222223,
"spacegroup": 216
},
{
"id": "jvasp-101965",
"created_at": "2022-09-04T14:36:59.406905Z",
"updated_at": "2022-09-04T14:36:59.406931Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n4.076932 -0.062235 -0.245048\n-1.131116 4.152269 -0.270901\n-0.220572 -0.026474 15.629449\nCd H C O\n1 18 11 4\ndirect\n0.673604 0.245222 0.146969 Cd\n0.694081 0.901790 0.544742 H\n0.557574 0.042704 0.407184 H\n0.632517 0.862870 0.889798 H\n0.776797 0.832086 0.694337 H\n0.377126 0.780034 0.735292 H\n0.099974 0.699567 0.588233 H\n0.046041 0.334975 0.525236 H\n0.636704 0.540039 0.479941 H\n0.047435 0.937752 0.855712 H\n0.157808 0.491767 0.936269 H\n0.726583 0.375465 0.962123 H\n0.878862 0.380095 0.776225 H\n0.469510 0.307247 0.812691 H\n0.569362 0.264845 0.620796 H\n0.179687 0.213454 0.666598 H\n0.191499 0.364260 0.362569 H\n0.909343 0.593874 0.339660 H\n0.166918 0.975684 0.453123 H\n0.040242 0.816483 0.029635 C\n0.938173 0.581749 0.949865 C\n0.828106 0.744670 0.871999 C\n0.684617 0.500378 0.794044 C\n0.560250 0.648808 0.715845 C\n0.351203 0.853962 0.430071 C\n0.238638 0.531987 0.564062 C\n0.500193 0.707177 0.505575 C\n0.182792 0.611804 0.352237 C\n0.338606 0.691889 0.267685 C\n0.387930 0.395337 0.641456 C\n0.301982 0.057589 0.028706 O\n0.242601 0.473049 0.203546 O\n0.558254 0.960631 0.264265 O\n0.854486 0.772336 0.093284 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.060824388255375,
"density_atomic": 0.12917027651644744,
"volume": 263.2184502265947,
"volume_molar": 4.662172229098845,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.563925110294118,
"spacegroup": 1
},
{
"id": "jvasp-112225",
"created_at": "2022-09-04T14:38:47.054411Z",
"updated_at": "2022-09-04T14:38:47.054436Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.934230 0.107820 0.108805\n0.864238 4.247128 0.327416\n0.182309 -0.054297 17.237840\nCd H C O\n1 20 12 4\ndirect\n0.142620 0.869914 0.859101 Cd\n0.000092 0.724713 0.533426 H\n0.025394 0.204228 0.607217 H\n0.492815 0.199148 0.015477 H\n0.631390 0.208198 0.189979 H\n0.209744 0.236287 0.155932 H\n0.393630 0.213372 0.326971 H\n0.964762 0.257341 0.295272 H\n0.183447 0.210605 0.466577 H\n0.750874 0.253904 0.437211 H\n0.894564 0.172901 0.059229 H\n0.590347 0.217923 0.583755 H\n0.654851 0.720211 0.110563 H\n0.247720 0.721756 0.071437 H\n0.430643 0.725475 0.251183 H\n0.006124 0.759729 0.217405 H\n0.212470 0.725371 0.392673 H\n0.781739 0.767713 0.361982 H\n0.790758 0.740352 0.670823 H\n0.371148 0.671980 0.664398 H\n0.564784 0.747904 0.508438 H\n0.792388 0.501298 0.961777 C\n0.666623 0.342181 0.034596 C\n0.485216 0.564635 0.095834 C\n0.394082 0.379658 0.169797 C\n0.243444 0.585935 0.236596 C\n0.157145 0.392236 0.309473 C\n0.772599 0.367277 0.594808 C\n0.943657 0.389085 0.451022 C\n0.814304 0.579347 0.521772 C\n0.648256 0.551201 0.666778 C\n0.710485 0.357073 0.743989 C\n0.020390 0.589973 0.378598 C\n0.063049 0.359518 0.925378 O\n0.530529 0.448100 0.803939 O\n0.959311 0.106429 0.745834 O\n0.637768 0.786469 0.938882 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9752693283979776,
"density_atomic": 0.12918502304092402,
"volume": 286.4109099417733,
"volume_molar": 4.6616400401866,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595727398648649,
"spacegroup": 1
},
{
"id": "jvasp-103987",
"created_at": "2022-09-04T14:36:47.864575Z",
"updated_at": "2022-09-04T14:36:47.864588Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.895308 -0.110980 -0.548034\n-0.890648 4.241458 -0.158020\n-0.685650 0.048134 17.528757\nCd H C O\n1 20 12 4\ndirect\n0.614107 0.113797 0.156907 Cd\n0.963574 0.745308 0.453534 H\n0.928595 0.259503 0.369656 H\n0.082989 0.248691 0.968052 H\n0.685435 0.233844 0.807528 H\n0.147030 0.266642 0.830881 H\n0.751443 0.214898 0.660595 H\n0.213306 0.264970 0.690251 H\n0.830789 0.222265 0.515759 H\n0.289244 0.263310 0.548982 H\n0.653860 0.307024 0.963944 H\n0.375021 0.266894 0.408631 H\n0.773496 0.763019 0.882951 H\n0.234076 0.787600 0.904380 H\n0.783935 0.727814 0.735638 H\n0.246754 0.780753 0.763527 H\n0.855780 0.724624 0.593118 H\n0.316713 0.776695 0.624010 H\n0.111517 0.783527 0.313412 H\n0.556806 0.813832 0.356604 H\n0.419560 0.780619 0.487196 H\n0.069141 0.628318 0.042120 C\n-0.069755 0.433703 0.965133 C\n0.972795 0.619068 0.893021 C\n0.944552 0.407345 0.819933 C\n0.995394 0.597543 0.748870 C\n0.003368 0.396522 0.676529 C\n0.187792 0.419826 0.393789 C\n0.084306 0.399586 0.534483 C\n0.165231 0.605441 0.467432 C\n0.306300 0.642379 0.332359 C\n0.361854 0.482696 0.259619 C\n0.066208 0.593798 0.607127 C\n-0.051378 0.537952 0.102193 O\n0.597719 0.624221 0.223321 O\n0.184916 0.197282 0.236673 O\n0.320256 0.878558 0.043720 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9758890800957247,
"density_atomic": 0.1292255555577824,
"volume": 286.3210751178058,
"volume_molar": 4.660177883551243,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595727128378379,
"spacegroup": 1
},
{
"id": "jvasp-7814",
"created_at": "2022-09-04T14:37:05.259572Z",
"updated_at": "2022-09-04T14:37:05.259592Z",
"structure_string": "Mg2 C2 N4\n1.0\n4.043048 -0.000000 -1.930688\n-0.921967 3.936523 -1.930688\n-0.393342 -0.496110 4.374914\nMg C N\n2 2 4\ndirect\n0.249999 0.749999 0.499998 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.499999 -0.000001 C\n0.750000 0.250000 0.499999 C\n0.773335 0.874999 0.249998 N\n0.625000 0.226664 0.749999 N\n0.476664 0.375000 0.249999 N\n0.125000 0.523335 0.749999 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"C",
"N"
],
"chemical_system": "C-Mg-N",
"density": 3.4522954486071904,
"density_atomic": 0.12927405571540407,
"volume": 61.88403354198111,
"volume_molar": 4.658429509829645,
"formula_full": "Mg2 C2 N4",
"formula_reduced": "MgCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8105813875,
"spacegroup": 122
},
{
"id": "jvasp-112224",
"created_at": "2022-09-04T14:38:45.855592Z",
"updated_at": "2022-09-04T14:38:45.855630Z",
"structure_string": "H28 C18 O12\n1.0\n8.631297 0.000000 -1.377282\n0.000000 5.005919 0.000000\n0.002244 0.000000 10.383371\nH C O\n28 18 12\ndirect\n0.152849 0.216807 0.639910 H\n0.821691 0.128556 0.280660 H\n0.178309 0.628556 0.719340 H\n0.963202 0.256848 0.106229 H\n0.036798 0.756848 0.893771 H\n0.071191 0.367061 0.254775 H\n0.928809 0.867061 0.745225 H\n0.591986 0.692012 0.008921 H\n0.408014 0.192012 -0.008921 H\n0.719683 0.435840 0.970861 H\n0.574137 0.949573 0.315889 H\n0.425863 0.449572 0.684112 H\n0.645262 0.193497 0.524849 H\n0.354737 0.693497 0.475151 H\n0.280316 0.935840 0.029139 H\n0.004174 0.070367 0.485063 H\n0.847151 0.716807 0.360090 H\n0.377824 0.135805 0.527781 H\n0.995826 0.570367 0.514937 H\n0.392609 0.726594 0.866229 H\n0.607391 0.226594 0.133771 H\n0.650371 0.027428 0.869328 H\n0.622175 0.635805 0.472219 H\n0.617618 0.768599 0.749491 H\n0.382381 0.268599 0.250509 H\n0.776683 0.225636 0.739109 H\n0.223316 0.725636 0.260891 H\n0.349629 0.527428 0.130672 H\n0.349739 0.994123 0.601720 C\n0.396488 0.483529 0.233287 C\n0.603512 0.983529 0.766713 C\n0.666096 0.413070 0.168241 C\n0.333904 0.913071 0.831759 C\n0.567307 0.562894 0.259394 C\n0.432693 0.062894 0.740606 C\n0.650261 0.494123 0.398280 C\n0.820256 0.506605 0.378723 C\n0.307972 0.069526 0.952400 C\n0.822075 0.341104 0.254732 C\n0.177924 0.841105 0.745268 C\n0.962343 0.396548 0.187734 C\n0.037656 0.896548 0.812266 C\n0.957578 0.674319 0.134472 C\n0.042422 0.174318 0.865528 C\n0.692028 0.569526 0.047600 C\n0.179744 0.006605 0.621277 C\n0.928861 0.414126 0.487761 O\n0.071138 0.914126 0.512239 O\n0.069790 0.828151 0.145204 O\n0.930210 0.328151 0.854796 O\n0.820629 0.763908 0.072329 O\n0.580812 0.843732 0.236389 O\n0.311051 0.634778 0.316172 O\n0.688948 0.134778 0.683828 O\n0.419187 0.343732 0.763611 O\n0.392633 0.727965 0.569671 O\n0.179371 0.263908 0.927671 O\n0.607367 0.227965 0.430329 O\n",
"nsites": 58,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.615207397800918,
"density_atomic": 0.12927506551710163,
"volume": 448.65573858345675,
"volume_molar": 4.658393121605758,
"formula_full": "H28 C18 O12",
"formula_reduced": "H14(C3O2)3",
"formula_anonymous": "A6B9C14",
"energy_above_hull": 4.626704862068965,
"spacegroup": 4
},
{
"id": "jvasp-62771",
"created_at": "2022-09-04T14:36:14.018534Z",
"updated_at": "2022-09-04T14:36:14.018542Z",
"structure_string": "Mg1 B2 H8\n1.0\n2.143693 -3.712985 0.000000\n2.143693 3.712985 -0.000000\n0.000000 -0.000000 5.345051\nMg B H\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666666 0.202050 B\n0.666666 0.333332 0.797950 B\n0.180067 0.819931 0.288331 H\n0.180067 0.360135 0.288331 H\n0.639864 0.819931 0.288331 H\n0.819931 0.180067 0.711669 H\n0.360135 0.180067 0.711669 H\n0.819931 0.639864 0.711669 H\n0.333332 0.666666 0.974563 H\n0.666666 0.333332 0.025437 H\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mg",
"B",
"H"
],
"chemical_system": "B-H-Mg",
"density": 1.05365631443854,
"density_atomic": 0.129278127057212,
"volume": 85.08786637303271,
"volume_molar": 4.658282802422487,
"formula_full": "Mg1 B2 H8",
"formula_reduced": "Mg(BH4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.134814928787879,
"spacegroup": 164
},
{
"id": "jvasp-29863",
"created_at": "2022-09-04T14:37:15.260495Z",
"updated_at": "2022-09-04T14:37:15.260517Z",
"structure_string": "Ni1 H2 O2\n1.0\n1.577801 2.067875 4.825770\n-1.577801 2.067875 4.825770\n0.000000 -0.637612 4.437677\nNi H O\n1 2 2\ndirect\n0.942885 0.057113 0.000002 Ni\n0.609456 0.723879 0.224407 H\n0.276119 0.390543 0.775597 H\n0.609507 0.723798 0.442794 O\n0.276200 0.390491 0.557209 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"H",
"O"
],
"chemical_system": "H-Ni-O",
"density": 3.9812847158763387,
"density_atomic": 0.12930834600894262,
"volume": 38.66726436709827,
"volume_molar": 4.6571941764559615,
"formula_full": "Ni1 H2 O2",
"formula_reduced": "Ni(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.17120788,
"spacegroup": 164
},
{
"id": "jvasp-118456",
"created_at": "2022-09-04T14:38:44.793703Z",
"updated_at": "2022-09-04T14:38:44.793728Z",
"structure_string": "Li2 H1 N1\n1.0\n3.581892 -0.000000 0.000000\n-1.790946 3.102010 0.000000\n-0.000000 0.000000 2.783514\nLi H N\n2 1 1\ndirect\n0.333333 0.666667 0.000000 Li\n0.666666 0.333334 0.000000 Li\n0.000000 0.000000 0.499999 H\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"H",
"N"
],
"chemical_system": "H-Li-N",
"density": 1.5514841900960048,
"density_atomic": 0.12933346136992496,
"volume": 30.927804433835057,
"volume_molar": 4.656289792457671,
"formula_full": "Li2 H1 N1",
"formula_reduced": "Li2HN",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2158458125,
"spacegroup": 191
}
]
}