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=-id&page=4517",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4515",
"results": [
{
"id": "jvasp-101902",
"created_at": "2022-09-04T14:36:41.644683Z",
"updated_at": "2022-09-04T14:36:41.644705Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.972551 0.128883 0.183689\n1.214998 4.136928 0.643123\n0.065704 -0.293237 7.229982\nZn H C O\n1 4 4 4\ndirect\n0.700928 0.843129 0.273233 Zn\n-0.002062 0.558253 0.675815 H\n0.170049 0.123399 0.721430 H\n0.512718 0.614511 0.836291 H\n0.677744 0.182157 0.887899 H\n0.464700 0.336394 0.520969 C\n0.238270 0.349741 0.696996 C\n0.439000 0.391247 0.864558 C\n0.210124 0.421260 0.039859 C\n0.402046 0.595970 0.410294 O\n0.704547 0.069253 0.494705 O\n0.255673 0.187735 0.166367 O\n0.965692 0.695382 0.049766 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.54683841504409,
"density_atomic": 0.10986619913478857,
"volume": 118.3257462474973,
"volume_molar": 5.481340764880543,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.958384184615385,
"spacegroup": 1
},
{
"id": "jvasp-101901",
"created_at": "2022-09-04T14:36:41.841320Z",
"updated_at": "2022-09-04T14:36:41.841338Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.979916 0.103311 0.159275\n1.286337 4.149747 0.689272\n0.088090 -0.367741 7.207477\nZn H C O\n1 4 4 4\ndirect\n0.977170 0.214956 0.286594 Zn\n0.993600 0.873236 0.670283 H\n0.162813 0.442787 0.723239 H\n0.501068 0.932540 0.837807 H\n0.675728 0.499588 0.885311 H\n0.464283 0.634990 0.519716 C\n0.234726 0.665183 0.694616 C\n0.433591 0.707607 0.862865 C\n0.206735 0.723120 0.038686 C\n0.419931 0.868414 0.394125 O\n0.707482 0.361835 0.509034 O\n0.266201 0.465314 0.149073 O\n0.970231 -0.009435 0.065343 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.533263464782631,
"density_atomic": 0.10928059928681215,
"volume": 118.95981615072296,
"volume_molar": 5.510713520333654,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.959086492307693,
"spacegroup": 1
},
{
"id": "jvasp-101900",
"created_at": "2022-09-04T14:36:41.263510Z",
"updated_at": "2022-09-04T14:36:41.263532Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.452523 0.066254 0.491214\n1.379713 4.251248 0.586566\n0.226760 0.041525 7.595813\nZn H C O\n1 4 4 4\ndirect\n0.328251 0.829714 0.724747 Zn\n0.226370 0.124966 0.302973 H\n0.822151 0.990835 0.298837 H\n0.834698 0.668435 0.150655 H\n0.430433 0.534339 0.146549 H\n0.703785 0.324272 0.486884 C\n0.892176 0.208516 0.304068 C\n0.764632 0.450766 0.145437 C\n0.952945 0.335005 0.962621 C\n0.742440 0.118043 0.624097 O\n0.517696 0.618587 0.495915 O\n0.914234 0.541201 0.825400 O\n0.139033 0.040678 0.953604 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.732828512169469,
"density_atomic": 0.11788948986543422,
"volume": 110.27276489905029,
"volume_molar": 5.108293170895909,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.957128030769231,
"spacegroup": 2
},
{
"id": "jvasp-10190",
"created_at": "2022-09-04T14:37:11.095679Z",
"updated_at": "2022-09-04T14:37:11.095698Z",
"structure_string": "Sr6 P6\n1.0\n4.034277 -6.987572 -0.000000\n4.034277 6.987572 -0.000000\n0.000000 0.000000 6.046066\nSr P\n6 6\ndirect\n0.359544 0.000000 0.500000 Sr\n0.640457 0.640457 0.500000 Sr\n0.000000 0.359544 0.500000 Sr\n0.694410 0.000000 0.000000 Sr\n0.305590 0.305590 0.000000 Sr\n0.000000 0.694410 0.000000 Sr\n0.666667 0.333333 0.805556 P\n0.666667 0.333333 0.194445 P\n0.333333 0.666667 0.194445 P\n0.333333 0.666667 0.805556 P\n0.000000 0.000000 0.311455 P\n0.000000 0.000000 0.688546 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"P"
],
"chemical_system": "P-Sr",
"density": 3.46630923471347,
"density_atomic": 0.0352035415426761,
"volume": 340.87479481156157,
"volume_molar": 17.10663329909451,
"formula_full": "Sr6 P6",
"formula_reduced": "SrP",
"formula_anonymous": "AB",
"energy_above_hull": 0.2135459049999999,
"spacegroup": 189
},
{
"id": "jvasp-101898",
"created_at": "2022-09-04T14:36:40.909110Z",
"updated_at": "2022-09-04T14:36:40.909130Z",
"structure_string": "Al1 H18 C10 Cl1 O5\n1.0\n5.260287 0.030841 0.083650\n-0.851831 6.693770 -1.910712\n0.189562 -0.137384 9.119222\nAl H C Cl O\n1 18 10 1 5\ndirect\n0.537848 0.627014 0.924673 Al\n0.023419 0.865153 0.466068 H\n0.825902 0.732767 0.308070 H\n0.269871 0.465644 0.712634 H\n0.439759 0.869191 0.454111 H\n0.671105 0.054692 0.420545 H\n0.854806 0.086944 0.693534 H\n0.560457 0.948292 0.721288 H\n0.674988 0.244210 0.267163 H\n0.129091 0.668056 0.826932 H\n0.147638 0.509230 0.434033 H\n0.938195 0.340341 0.504577 H\n0.807799 0.666521 0.626976 H\n0.572783 0.549498 0.485417 H\n0.957490 0.226052 0.973114 H\n0.197301 0.058032 0.954312 H\n0.255989 0.255091 0.206980 H\n0.052995 0.050247 0.236412 H\n0.856402 0.430042 0.200419 H\n0.018323 0.103767 0.012113 C\n0.059632 0.178744 0.188621 C\n0.776788 0.611574 0.501919 C\n0.945370 0.443408 0.432701 C\n0.869455 0.324571 0.268338 C\n0.635593 0.942729 0.484426 C\n0.828279 0.788822 0.434000 C\n0.524382 0.237630 0.708718 C\n0.817130 0.930477 0.973788 C\n0.653039 0.049033 0.656655 C\n0.370568 0.601668 0.135616 Cl\n0.324986 0.256033 0.644268 O\n0.878499 0.745782 0.920899 O\n0.578869 0.937687 -0.006485 O\n0.631821 0.378797 0.823940 O\n0.294787 0.616628 0.782592 O\n",
"nsites": 35,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.4571931228522434,
"density_atomic": 0.10942645629295136,
"volume": 319.8495243810112,
"volume_molar": 5.503368165261432,
"formula_full": "Al1 H18 C10 Cl1 O5",
"formula_reduced": "AlH18C10ClO5",
"formula_anonymous": "ABC5D10E18",
"energy_above_hull": 4.434309553357142,
"spacegroup": 1
},
{
"id": "jvasp-101897",
"created_at": "2022-09-04T14:36:40.228944Z",
"updated_at": "2022-09-04T14:36:40.228977Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.617430 -0.029586 0.731433\n-0.012100 6.438320 2.086394\n0.195199 -0.135912 10.086828\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.159652 0.725049 0.968043 Al\n0.230502 0.274128 0.433456 H\n0.606300 0.455836 0.504667 H\n0.614735 0.244646 0.656239 H\n0.083026 0.302577 0.743320 H\n0.078282 0.518153 0.595346 H\n0.335422 0.882911 0.205433 H\n0.182147 0.089353 0.265327 H\n0.212758 0.067296 0.590740 H\n0.360470 0.811607 0.453262 H\n0.759333 0.195761 0.364992 H\n0.740191 0.994704 0.524959 H\n0.322324 0.187273 0.962483 H\n0.678558 0.304093 0.896288 H\n0.557707 0.326422 0.132125 H\n0.822158 0.133830 0.133047 H\n0.710291 0.828268 0.350353 H\n0.552586 0.172421 0.973052 C\n0.592731 0.168499 0.123661 C\n0.612500 0.077407 0.443564 C\n0.520000 0.921350 0.375558 C\n0.390001 0.013466 0.241342 C\n0.470115 0.331385 0.583601 C\n0.361364 0.185753 0.512119 C\n0.324684 0.565161 0.740381 C\n0.673583 0.977389 0.947297 C\n0.223176 0.425059 0.665529 C\n0.015879 0.560794 0.183116 Cl\n0.556179 0.661233 0.701729 O\n0.951534 0.959938 0.928086 O\n0.517886 0.823741 0.953302 O\n0.137343 0.574934 0.855835 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.4527204060327015,
"density_atomic": 0.106580747559728,
"volume": 300.24184229020494,
"volume_molar": 5.650308238479172,
"formula_full": "Al1 H16 C10 Cl1 O4",
"formula_reduced": "AlH16C10ClO4",
"formula_anonymous": "ABC4D10E16",
"energy_above_hull": 4.533682527109375,
"spacegroup": 1
},
{
"id": "jvasp-101895",
"created_at": "2022-09-04T14:36:59.846282Z",
"updated_at": "2022-09-04T14:36:59.846311Z",
"structure_string": "Ca2 H20 C14 O8\n1.0\n4.252396 0.028267 -0.008549\n-0.055122 7.534757 -1.391907\n0.020488 0.117712 11.221208\nCa H C O\n2 20 14 8\ndirect\n0.008189 0.516459 0.810391 Ca\n0.008189 0.016459 0.810391 Ca\n0.153349 0.128624 0.396902 H\n0.171616 0.857578 0.453114 H\n0.171616 0.357578 0.453114 H\n0.698346 0.817709 0.547371 H\n0.698346 0.317709 0.547372 H\n0.687043 0.090374 0.492737 H\n0.687042 0.590374 0.492736 H\n0.667288 0.652203 0.284947 H\n0.667287 0.152204 0.284947 H\n0.153350 0.628625 0.396902 H\n0.666270 0.381300 0.335983 H\n0.666271 0.881300 0.335982 H\n0.699007 0.715784 0.073465 H\n0.686293 0.943034 0.128260 H\n0.686291 0.443033 0.128260 H\n0.699005 0.215784 0.073465 H\n0.152456 0.903363 0.223660 H\n0.172577 0.174477 0.167461 H\n0.172578 0.674478 0.167461 H\n0.152454 0.403362 0.223660 H\n0.535876 0.827510 0.097682 C\n0.535874 0.327509 0.097682 C\n0.317579 0.792371 0.199169 C\n0.317577 0.292370 0.199169 C\n0.509160 0.766507 0.310407 C\n0.509159 0.266507 0.310407 C\n0.317565 0.740099 0.421511 C\n0.535925 0.705582 0.523154 C\n0.535926 0.205582 0.523154 C\n0.385530 0.853036 0.979635 C\n0.385529 0.353036 0.979635 C\n0.385529 0.679973 0.641170 C\n0.385529 0.179973 0.641171 C\n0.317564 0.240099 0.421511 C\n0.523303 0.082740 0.706643 O\n0.121851 0.254133 0.673794 O\n0.121851 0.754133 0.673794 O\n0.523358 0.450303 0.914184 O\n0.523359 0.950302 0.914184 O\n0.121817 0.278818 0.946977 O\n0.121817 0.778818 0.946977 O\n0.523304 0.582739 0.706643 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 1.8274400536354976,
"density_atomic": 0.12213708790635366,
"volume": 360.250934046636,
"volume_molar": 4.930640531250724,
"formula_full": "Ca2 H20 C14 O8",
"formula_reduced": "CaH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.423480200909091,
"spacegroup": 3
},
{
"id": "jvasp-101894",
"created_at": "2022-09-04T14:36:58.738495Z",
"updated_at": "2022-09-04T14:36:58.738519Z",
"structure_string": "Ca2 H8 C8 O8\n1.0\n5.103947 -0.064441 -0.752002\n-1.916407 5.985854 -2.207102\n0.030915 -0.153800 8.337135\nCa H C O\n2 8 8 8\ndirect\n0.528868 0.212559 0.716651 Ca\n0.028867 0.712558 0.716651 Ca\n0.741457 0.187990 0.225947 H\n0.241457 0.687989 0.225947 H\n0.545906 0.011683 0.308278 H\n0.045904 0.511683 0.308277 H\n0.816333 0.737160 0.207352 H\n0.316333 0.237160 0.207352 H\n0.011876 0.913469 0.125018 H\n0.511877 0.413469 0.125018 H\n0.307419 0.363238 0.150727 C\n0.807419 0.863238 0.150727 C\n0.250364 0.561910 0.282572 C\n0.750365 0.061910 0.282572 C\n0.591159 0.739416 0.975881 C\n0.466613 0.685730 0.457421 C\n0.966614 0.185732 0.457422 C\n0.091159 0.239416 0.975880 C\n0.895255 0.313219 0.588757 O\n0.205618 0.169125 0.469046 O\n0.705618 0.669125 0.469046 O\n0.352176 0.756065 0.964260 O\n0.852178 0.256065 0.964260 O\n0.662480 0.611886 0.844543 O\n0.162480 0.111886 0.844544 O\n0.395254 0.813220 0.588757 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 2.058933583968353,
"density_atomic": 0.10322720272053308,
"volume": 251.87159309537603,
"volume_molar": 5.833869950253072,
"formula_full": "Ca2 H8 C8 O8",
"formula_reduced": "CaH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 4.038042647692308,
"spacegroup": 2
},
{
"id": "jvasp-101893",
"created_at": "2022-09-04T14:36:57.417764Z",
"updated_at": "2022-09-04T14:36:57.417784Z",
"structure_string": "Ca2 H4 C6 O8\n1.0\n4.204001 0.158499 -0.391928\n-0.319538 6.266547 -0.345303\n0.532348 0.217745 7.548141\nCa H C O\n2 4 6 8\ndirect\n0.945729 0.194672 0.505046 Ca\n0.945728 0.194672 0.005047 Ca\n0.235687 0.738989 0.856255 H\n0.235683 0.738988 0.356253 H\n0.236308 0.645772 0.639457 H\n0.236310 0.645770 0.139454 H\n0.395339 0.692448 0.250197 C\n0.395338 0.692449 0.750198 C\n0.567841 0.893212 0.202059 C\n0.565394 0.492635 0.302589 C\n0.565393 0.492636 0.802588 C\n0.567840 0.893211 0.702059 C\n0.431697 0.373931 0.913269 O\n0.828240 0.438584 0.734734 O\n0.828241 0.438584 0.234733 O\n0.432997 0.011926 0.589762 O\n0.432995 0.011927 0.089764 O\n0.833216 0.947984 0.774614 O\n0.833216 0.947983 0.274614 O\n0.431697 0.373931 0.413270 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 2.349953841094866,
"density_atomic": 0.09957357403652861,
"volume": 200.85650428358625,
"volume_molar": 6.047930706786497,
"formula_full": "Ca2 H4 C6 O8",
"formula_reduced": "CaH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.750496442,
"spacegroup": 1
},
{
"id": "jvasp-101891",
"created_at": "2022-09-04T14:36:39.340718Z",
"updated_at": "2022-09-04T14:36:39.340731Z",
"structure_string": "Ti1 H22 C12 O4\n1.0\n4.773832 0.146807 0.485565\n1.781593 7.101250 2.843916\n-0.108657 -0.275290 9.796747\nTi H C O\n1 22 12 4\ndirect\n0.292340 0.331282 0.132733 Ti\n0.501047 0.668903 0.622107 H\n0.392133 0.964612 0.152150 H\n0.398052 0.000207 0.324515 H\n0.571184 0.617593 -0.004672 H\n0.218144 0.696188 0.069893 H\n0.304957 0.510329 0.720856 H\n0.719111 0.986153 0.214364 H\n0.357977 0.366966 0.528148 H\n0.701691 0.370732 0.576974 H\n0.662167 0.668377 0.356435 H\n0.247276 0.638910 0.905820 H\n0.264038 0.889807 0.719952 H\n0.339795 0.633250 0.306960 H\n0.850721 0.935464 0.890968 H\n0.654010 0.134852 0.755394 H\n0.244833 0.090196 0.884459 H\n0.064068 0.288014 0.743494 H\n0.105336 0.838025 0.438461 H\n0.834856 0.747205 0.741262 H\n0.679362 0.937556 0.586841 H\n0.068123 0.086230 0.580209 H\n0.925743 0.662357 0.514943 H\n0.027124 0.172213 0.838295 C\n0.042854 0.971353 0.678951 C\n0.875547 0.051975 0.794161 C\n0.061974 0.738036 0.541955 C\n0.888772 0.847645 0.640003 C\n0.548200 0.562903 0.365468 C\n0.859061 0.260167 0.947148 C\n0.346752 0.595125 0.610173 C\n0.725903 0.423161 0.295953 C\n0.480474 0.033322 0.212446 C\n0.349664 0.602208 0.011383 C\n0.492309 0.460751 0.525188 C\n-0.000934 0.410163 0.275482 O\n0.000111 0.325443 0.016661 O\n0.595818 0.268051 0.968012 O\n0.607681 0.315883 0.264818 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.385540563529384,
"density_atomic": 0.11698443611448284,
"volume": 333.3776807868183,
"volume_molar": 5.14781364087325,
"formula_full": "Ti1 H22 C12 O4",
"formula_reduced": "TiH22(C3O)4",
"formula_anonymous": "AB4C12D22",
"energy_above_hull": 4.727200572649574,
"spacegroup": 1
},
{
"id": "jvasp-101890",
"created_at": "2022-09-04T14:36:38.553579Z",
"updated_at": "2022-09-04T14:36:38.553614Z",
"structure_string": "Ti1 H10 C6 O4\n1.0\n4.665601 -0.087612 0.677548\n0.906799 5.904753 1.642370\n-0.017355 0.221823 6.956707\nTi H C O\n1 10 6 4\ndirect\n0.970675 0.801259 0.710788 Ti\n0.912458 0.773209 0.332306 H\n0.006848 0.502504 0.512411 H\n0.248536 0.941587 0.967600 H\n0.860568 0.991735 -0.003505 H\n0.283269 0.677295 0.379715 H\n0.799190 0.182347 0.239785 H\n0.644015 0.403970 0.344333 H\n0.179952 0.436787 0.182544 H\n0.325849 0.209994 0.083557 H\n0.061426 0.192216 0.808109 H\n0.055087 0.011400 0.886762 C\n0.059014 0.678806 0.447499 C\n0.465539 0.094344 0.475326 C\n0.495807 0.516541 0.937467 C\n0.590633 0.264805 0.292951 C\n0.385928 0.351623 0.127992 C\n0.747747 0.575697 0.922559 O\n0.633550 -0.004178 0.618974 O\n0.214023 0.050484 0.485672 O\n0.332949 0.591917 0.794475 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.689230250329089,
"density_atomic": 0.11011309279091987,
"volume": 190.71301575257996,
"volume_molar": 5.4690505982196855,
"formula_full": "Ti1 H10 C6 O4",
"formula_reduced": "TiH10(C3O2)2",
"formula_anonymous": "AB4C6D10",
"energy_above_hull": 4.523459634920635,
"spacegroup": 1
},
{
"id": "jvasp-10189",
"created_at": "2022-09-04T14:37:03.279437Z",
"updated_at": "2022-09-04T14:37:03.279463Z",
"structure_string": "K4 Cu4 O4\n1.0\n5.069267 0.000000 2.085535\n2.534634 6.586732 1.042767\n0.028597 0.000000 7.134140\nK Cu O\n4 4 4\ndirect\n0.250008 0.188726 0.811273 K\n0.250008 0.811273 0.188727 K\n0.938719 0.811273 0.811273 K\n0.561265 0.188726 0.188726 K\n0.890791 0.500000 0.218418 Cu\n0.609210 0.781581 0.500000 Cu\n0.609210 0.500000 0.781581 Cu\n0.890791 0.218418 0.499999 Cu\n0.470073 0.779908 0.779908 O\n0.750021 0.220091 0.779908 O\n0.750020 0.779908 0.220091 O\n0.029889 0.220091 0.220092 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Cu",
"O"
],
"chemical_system": "Cu-K-O",
"density": 3.313704493917277,
"density_atomic": 0.05045930354408358,
"volume": 237.81541077982268,
"volume_molar": 11.934648988444279,
"formula_full": "K4 Cu4 O4",
"formula_reduced": "KCuO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 139
}
]
}