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=708",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=706",
"results": [
{
"id": "jvasp-112086",
"created_at": "2022-09-04T14:38:42.760343Z",
"updated_at": "2022-09-04T14:38:42.760373Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n3.881351 -0.259415 -0.341115\n-1.454358 4.502232 -0.145239\n-0.389294 0.039697 8.247701\nZn H C O\n1 6 5 4\ndirect\n0.009482 0.764176 0.244531 Zn\n-0.001038 0.383227 0.630458 H\n0.548627 0.369099 0.553514 H\n0.704502 0.930158 0.799726 H\n0.908149 0.470684 0.919117 H\n0.260954 0.933952 0.723824 H\n0.470527 0.474993 0.846657 H\n0.667786 0.007738 0.462119 C\n0.706417 0.229214 0.602669 C\n0.556702 0.078675 0.755052 C\n0.613618 0.321297 0.889958 C\n0.472937 0.212133 0.048545 C\n0.923812 0.081203 0.372563 O\n0.379505 0.760364 0.435793 O\n0.243916 0.937544 0.049361 O\n0.569325 0.397049 0.174787 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.3115804289154758,
"density_atomic": 0.11392418715126758,
"volume": 140.44427614616495,
"volume_molar": 5.286094999303224,
"formula_full": "Zn1 H6 C5 O4",
"formula_reduced": "ZnH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.145447149999999,
"spacegroup": 1
},
{
"id": "jvasp-112087",
"created_at": "2022-09-04T14:38:43.876792Z",
"updated_at": "2022-09-04T14:38:43.876818Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.954188 -0.124089 0.537000\n2.929027 3.883846 0.446864\n-0.104097 0.063020 9.455831\nZn H C O\n1 10 7 4\ndirect\n0.693751 0.165909 0.820085 Zn\n0.406943 0.342275 0.447643 H\n0.047044 0.595578 0.224385 H\n0.396708 0.258802 0.132338 H\n0.351783 0.844214 0.298557 H\n0.019910 0.188682 0.393771 H\n0.733477 0.346539 0.167934 H\n0.075533 0.064761 0.057689 H\n0.593291 0.631056 0.533545 H\n0.804723 0.785157 0.597248 H\n0.732745 -0.016332 0.356888 H\n0.293201 0.049771 0.668790 C\n0.570703 0.860259 0.556742 C\n0.497645 0.085683 0.419505 C\n0.249771 0.102880 0.328926 C\n0.167770 0.333419 0.194824 C\n0.944021 0.315982 0.102396 C\n0.792413 0.578988 0.981607 C\n0.612722 0.570764 0.896592 O\n0.292595 0.247238 0.749238 O\n0.054731 0.019400 0.671455 O\n0.837392 0.811535 0.973570 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.000581903002473,
"density_atomic": 0.1185588750854762,
"volume": 185.5618146185925,
"volume_molar": 5.079451669609954,
"formula_full": "Zn1 H10 C7 O4",
"formula_reduced": "ZnH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.366537927272727,
"spacegroup": 1
},
{
"id": "jvasp-112088",
"created_at": "2022-09-04T14:38:44.368486Z",
"updated_at": "2022-09-04T14:38:44.368517Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.376179 -0.283869 -0.242252\n-1.898842 4.311990 -0.444440\n-0.123655 -0.561932 9.880578\nZn H C O\n1 10 7 4\ndirect\n0.216083 0.448313 0.815803 Zn\n-0.174500 0.473614 0.386521 H\n0.424042 0.916453 0.202004 H\n0.987992 0.619149 0.166561 H\n0.078292 0.186086 0.369989 H\n0.341797 0.024575 0.427323 H\n0.708364 0.298393 0.959357 H\n0.259717 0.328844 0.128256 H\n0.721679 0.007917 0.561108 H\n0.471617 0.585717 0.557534 H\n0.565309 0.635825 0.325685 H\n-0.014632 0.784786 0.654783 C\n0.725191 0.776038 0.544827 C\n0.795910 0.694350 0.397709 C\n0.109505 0.966196 0.356415 C\n0.157572 0.878477 0.204568 C\n0.089659 0.069827 0.109246 C\n0.840913 0.949460 -0.000680 C\n0.620483 0.640415 0.950367 O\n0.958140 0.507513 0.667495 O\n0.219748 0.042337 0.729244 O\n0.814099 0.165643 0.918127 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.0667050176955635,
"density_atomic": 0.12247747601023475,
"volume": 179.6248642334986,
"volume_molar": 4.916937347318264,
"formula_full": "Zn1 H10 C7 O4",
"formula_reduced": "ZnH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.369653836363636,
"spacegroup": 1
},
{
"id": "jvasp-112089",
"created_at": "2022-09-04T14:38:44.392384Z",
"updated_at": "2022-09-04T14:38:44.392413Z",
"structure_string": "H6 C6 S2 N2 O2\n1.0\n4.418654 -0.233889 2.088257\n-0.014597 6.193485 2.486530\n0.080037 -0.147670 7.073518\nH C S N O\n6 6 2 2 2\ndirect\n0.531838 0.160365 0.015157 H\n0.537657 0.253884 0.579811 H\n0.598977 0.435653 0.869710 H\n0.531801 0.660365 0.515153 H\n0.537621 0.753879 0.079807 H\n0.598941 0.935654 0.369707 H\n0.127895 0.254869 0.846178 C\n0.127857 0.754878 0.346170 C\n0.618531 0.778790 0.344942 C\n0.949053 0.748615 0.219524 C\n0.618568 0.278789 0.844947 C\n0.949089 0.248615 0.719528 C\n0.094598 0.213035 0.479079 S\n0.094561 0.713024 0.979079 S\n0.434084 0.266113 0.736125 N\n0.434049 0.766115 0.236119 N\n-0.008444 0.751456 0.543032 O\n-0.008408 0.251438 0.043041 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7302873353554262,
"density_atomic": 0.09273516121725904,
"volume": 194.10113449665303,
"volume_molar": 6.493913075636312,
"formula_full": "H6 C6 S2 N2 O2",
"formula_reduced": "H3C3SNO",
"formula_anonymous": "ABCD3E3",
"energy_above_hull": 4.61999075,
"spacegroup": 1
},
{
"id": "jvasp-11209",
"created_at": "2022-09-04T14:37:15.840086Z",
"updated_at": "2022-09-04T14:37:15.840105Z",
"structure_string": "Zr2 Ag1 Pd1 F11\n1.0\n5.529572 0.020986 2.076626\n1.039794 5.430970 2.076626\n0.029196 0.024230 7.902308\nZr Ag Pd F\n2 1 1 11\ndirect\n0.493000 0.493001 0.236560 Zr\n0.506999 0.506999 0.763441 Zr\n0.000000 0.000000 0.000000 Ag\n0.000000 -0.000000 0.500000 Pd\n0.804121 0.233566 0.691474 F\n0.766435 0.195880 0.308527 F\n0.195879 0.766435 0.308527 F\n0.233565 0.804121 0.691474 F\n0.500000 0.500000 0.500001 F\n0.336084 0.663915 0.000001 F\n0.663915 0.336085 0.000000 F\n0.255264 0.255264 0.343709 F\n0.744735 0.744736 0.656292 F\n0.275394 0.275394 0.892096 F\n0.724605 0.724607 0.107905 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Zr",
"Ag",
"Pd",
"F"
],
"chemical_system": "Ag-F-Pd-Zr",
"density": 4.251365563893481,
"density_atomic": 0.06340152102562618,
"volume": 236.58738398306198,
"volume_molar": 9.498416855907792,
"formula_full": "Zr2 Ag1 Pd1 F11",
"formula_reduced": "Zr2AgPdF11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.4977863378333339,
"spacegroup": 12
},
{
"id": "jvasp-112090",
"created_at": "2022-09-04T14:38:42.577814Z",
"updated_at": "2022-09-04T14:38:42.577834Z",
"structure_string": "H6 C4 S2 N2 O2\n1.0\n5.422659 0.066672 0.726099\n2.409676 5.130241 1.555098\n0.039060 -0.116035 6.093504\nH C S N O\n6 4 2 2 2\ndirect\n0.937974 0.076248 0.889239 H\n0.437975 0.576252 0.389240 H\n0.659307 0.086445 0.750090 H\n0.159310 0.586443 0.250093 H\n0.163659 0.125835 0.533990 H\n0.663662 0.625834 0.033993 H\n0.808798 0.164801 0.740450 C\n0.308800 0.664801 0.240451 C\n0.939672 0.012952 0.384448 C\n0.439674 0.512951 0.884449 C\n0.668473 0.966544 0.360588 S\n0.168474 0.466545 0.860588 S\n0.976577 0.123316 0.539673 N\n0.476579 0.623315 0.039675 N\n0.161735 0.946221 0.236475 O\n0.661737 0.446219 0.736477 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.749459144940349,
"density_atomic": 0.09457741727522738,
"volume": 169.17357717052897,
"volume_molar": 6.367419341210301,
"formula_full": "H6 C4 S2 N2 O2",
"formula_reduced": "H3C2SNO",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 4.23164584375,
"spacegroup": 1
},
{
"id": "jvasp-112091",
"created_at": "2022-09-04T14:38:44.595195Z",
"updated_at": "2022-09-04T14:38:44.595223Z",
"structure_string": "H16 C22 S2 O2\n1.0\n4.131912 -0.111345 -0.538587\n-2.685980 8.366285 -1.823679\n-0.005328 -0.314108 11.808749\nH C S O\n16 22 2 2\ndirect\n0.818043 0.889858 0.007918 H\n0.436688 0.657987 0.396482 H\n0.936946 0.658061 0.896510 H\n0.922252 0.732541 0.324525 H\n0.530955 0.491761 0.710532 H\n0.030716 0.491691 0.210509 H\n0.461098 0.080852 0.708450 H\n-0.039076 0.080825 0.208425 H\n0.422528 0.732626 0.824542 H\n-0.001890 0.469896 0.798907 H\n0.624383 0.216154 0.199832 H\n0.124646 0.216234 0.699845 H\n0.016989 0.960764 0.669999 H\n0.516851 0.960694 0.170022 H\n0.317821 0.889797 0.507884 H\n0.497852 0.469822 0.298886 H\n0.487830 0.579440 0.665214 C\n0.856703 0.827459 0.174518 C\n0.356724 0.827471 0.674509 C\n0.991924 0.552540 0.043657 C\n0.933199 0.670218 0.989836 C\n0.866286 0.802735 0.053279 C\n0.366166 0.802703 0.553257 C\n0.433064 0.670181 0.489818 C\n0.987697 0.579400 0.165206 C\n0.491912 0.552538 0.543657 C\n0.423076 0.715595 0.730273 C\n0.050445 0.413762 0.968150 C\n0.268865 0.976388 0.722720 C\n0.768770 0.976358 0.222723 C\n0.672834 0.160784 0.371235 C\n0.172883 0.160798 0.871229 C\n0.550402 0.413747 0.468150 C\n0.547336 0.388424 0.348623 C\n0.047504 0.388477 0.848635 C\n0.616306 0.248053 0.293255 C\n0.116479 0.248105 0.793264 C\n0.922924 0.715546 0.230267 C\n0.139499 0.254025 0.014299 S\n0.639572 0.254043 0.514312 S\n0.250606 0.020626 0.847482 O\n0.750613 0.020619 0.347494 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5558060356936843,
"density_atomic": 0.1045203292667836,
"volume": 401.8357031080224,
"volume_molar": 5.761693253595429,
"formula_full": "H16 C22 S2 O2",
"formula_reduced": "H8C11SO",
"formula_anonymous": "ABC8D11",
"energy_above_hull": 5.507300642857143,
"spacegroup": 1
},
{
"id": "jvasp-112092",
"created_at": "2022-09-04T14:38:41.459658Z",
"updated_at": "2022-09-04T14:38:41.459686Z",
"structure_string": "H8 C10 S2 O4\n1.0\n5.568839 -0.126971 -0.590730\n-2.333265 5.970777 -2.133712\n-0.103980 -0.020082 7.792791\nH C S O\n8 10 2 4\ndirect\n0.885622 0.992136 0.888123 H\n0.885837 0.992034 0.388142 H\n0.334009 0.053402 0.395198 H\n0.333859 0.053376 0.895213 H\n0.794951 0.381953 0.593759 H\n0.794847 0.381855 0.093776 H\n0.617578 0.969851 0.715672 H\n0.617664 0.969731 0.215793 H\n0.823344 0.993480 0.249749 C\n0.823242 0.993570 0.749703 C\n0.222404 0.311578 0.844341 C\n0.222426 0.311555 0.344351 C\n0.650656 0.615095 0.028477 C\n0.635773 0.407469 0.022273 C\n0.635836 0.407530 0.522267 C\n0.388204 0.230755 0.915302 C\n0.388291 0.230777 0.415295 C\n0.650637 0.615145 0.528495 C\n0.357842 0.602607 0.404375 S\n0.357909 0.602622 0.904351 S\n0.968931 0.201820 0.239433 O\n0.864779 0.815124 0.610331 O\n0.864828 0.815055 0.110309 O\n0.968919 0.201890 0.739397 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6615465209058262,
"density_atomic": 0.09369776444688133,
"volume": 256.14271740288916,
"volume_molar": 6.42719791187125,
"formula_full": "H8 C10 S2 O4",
"formula_reduced": "H4C5SO2",
"formula_anonymous": "AB2C4D5",
"energy_above_hull": 4.7839055833333335,
"spacegroup": 1
},
{
"id": "jvasp-112093",
"created_at": "2022-09-04T14:38:44.005383Z",
"updated_at": "2022-09-04T14:38:44.005393Z",
"structure_string": "H12 C14 O4\n1.0\n5.914565 -0.027223 2.308017\n0.687643 4.969047 3.361943\n0.249072 -0.184402 8.924809\nH C O\n12 14 4\ndirect\n0.128906 0.964201 0.553590 H\n0.406866 0.254453 0.864424 H\n0.406865 0.754453 0.364424 H\n0.684250 0.275099 0.517120 H\n0.960650 0.576149 0.817321 H\n0.960651 0.076149 0.317321 H\n0.684248 0.775100 0.017120 H\n0.068680 0.920594 0.819329 H\n0.038288 0.118641 0.922661 H\n0.038288 0.618640 0.422661 H\n0.128906 0.464199 0.053590 H\n0.068681 0.420593 0.319328 H\n0.698502 0.898353 0.334623 C\n0.465392 0.370235 0.897575 C\n0.465393 0.870235 0.397574 C\n0.311083 0.487893 0.003783 C\n0.311082 0.987895 0.503783 C\n0.698503 0.398353 0.834623 C\n0.392705 0.629193 0.048451 C\n0.625316 0.164288 0.480218 C\n0.778306 0.550947 0.871187 C\n0.778306 0.050946 0.371187 C\n0.625316 0.664289 0.980217 C\n0.051839 0.622347 0.295434 C\n0.051843 0.122347 0.795434 C\n0.392705 0.129193 0.548451 C\n0.847840 0.764553 0.237760 O\n0.252092 0.243536 0.659835 O\n0.252092 0.743537 0.159834 O\n0.847840 0.264553 0.737760 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5423445113326264,
"density_atomic": 0.11408590526686369,
"volume": 262.9597401171126,
"volume_molar": 5.278601897327569,
"formula_full": "H12 C14 O4",
"formula_reduced": "H6C7O2",
"formula_anonymous": "A2B6C7",
"energy_above_hull": 5.1624398000000005,
"spacegroup": 1
},
{
"id": "jvasp-112094",
"created_at": "2022-09-04T14:38:43.632764Z",
"updated_at": "2022-09-04T14:38:43.632787Z",
"structure_string": "H8 C20 S4 O4\n1.0\n3.628492 0.200610 0.523315\n2.505790 9.294313 2.109155\n1.266155 -0.334381 11.954303\nH C S O\n8 20 4 4\ndirect\n0.320476 0.609795 0.298983 H\n0.820014 0.609841 0.799049 H\n0.570512 0.109776 0.549018 H\n0.070547 0.109791 0.048994 H\n0.193954 0.863180 0.172270 H\n0.693108 0.863251 0.672377 H\n0.443813 0.363159 0.422298 H\n-0.056124 0.363187 0.922291 H\n0.377093 0.710691 0.438194 C\n0.877213 0.710697 0.938198 C\n0.627076 0.210703 0.688215 C\n0.127400 0.210677 0.188176 C\n0.226792 0.107390 0.291433 C\n-0.023132 0.607392 0.041426 C\n0.726506 0.107423 0.791473 C\n0.006634 0.452355 0.067327 C\n0.476409 0.607418 0.541463 C\n0.506273 0.452372 0.567357 C\n0.756247 0.952389 0.817376 C\n0.256477 0.952361 0.317335 C\n0.813188 0.706921 0.829637 C\n0.563431 0.206882 0.579617 C\n0.063612 0.206882 0.079589 C\n0.313468 0.706888 0.329588 C\n0.743865 0.845466 0.760376 C\n0.494212 0.345413 0.510334 C\n-0.005601 0.345418 0.010314 C\n0.244334 0.845421 0.260308 C\n0.346625 0.883730 0.455854 S\n0.846818 0.883729 0.955851 S\n0.596516 0.383753 0.705869 S\n0.096982 0.383714 0.205826 S\n0.797832 0.158824 0.868293 O\n0.547507 0.658839 0.618313 O\n0.048326 0.658780 0.118229 O\n0.298082 0.158787 0.368262 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.8583642374878746,
"density_atomic": 0.09145421071384804,
"volume": 393.6396117685685,
"volume_molar": 6.584869863283533,
"formula_full": "H8 C20 S4 O4",
"formula_reduced": "H2C5SO",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 5.2018515,
"spacegroup": 8
},
{
"id": "jvasp-112095",
"created_at": "2022-09-04T14:38:42.830791Z",
"updated_at": "2022-09-04T14:38:42.830819Z",
"structure_string": "H4 C12 S4 O4\n1.0\n3.945378 0.047210 -0.045973\n-1.545580 7.905218 -2.008017\n0.040405 0.141552 9.896256\nH C S O\n4 12 4 4\ndirect\n0.271001 0.557465 0.264412 H\n0.771036 0.057468 0.764418 H\n0.532110 0.760034 0.106233 H\n0.032159 0.260036 0.606241 H\n0.710128 0.692337 0.637900 C\n0.210135 0.192333 0.137901 C\n0.282744 0.077474 0.331688 C\n0.782722 0.577473 0.831686 C\n0.350043 0.346007 0.098135 C\n0.850050 0.846009 0.598136 C\n0.607067 0.534978 0.951959 C\n0.001644 0.123668 0.576320 C\n0.501610 0.623666 0.076315 C\n0.863771 0.015543 0.661525 C\n0.363745 0.515540 0.161520 C\n0.107088 0.034980 0.451961 C\n0.523013 0.320704 0.936742 S\n0.023013 0.820706 0.436742 S\n0.585691 0.513752 0.524124 S\n0.085704 0.013747 0.024127 S\n0.685570 0.708691 0.781879 O\n0.990284 0.496494 0.772736 O\n0.490305 0.996497 0.272739 O\n0.185586 0.208690 0.281880 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.820423525768931,
"density_atomic": 0.07728983389433863,
"volume": 310.51949254813917,
"volume_molar": 7.791633720202771,
"formula_full": "H4 C12 S4 O4",
"formula_reduced": "HC3SO",
"formula_anonymous": "ABCD3",
"energy_above_hull": 4.601748916666667,
"spacegroup": 1
},
{
"id": "jvasp-112096",
"created_at": "2022-09-04T14:38:44.059538Z",
"updated_at": "2022-09-04T14:38:44.059567Z",
"structure_string": "H10 C17 S1 O1\n1.0\n3.816420 -0.093490 -0.057415\n1.462501 5.738063 1.487452\n-0.192673 0.080406 12.354756\nH C S O\n10 17 1 1\ndirect\n0.463715 0.223275 0.015153 H\n0.478941 0.581732 0.506095 H\n0.144601 0.288719 0.873940 H\n0.011287 0.427711 0.440633 H\n0.356043 0.829226 0.141634 H\n0.831935 0.992564 0.182336 H\n0.721563 0.596780 0.312589 H\n0.808058 0.389167 0.677250 H\n0.120016 0.799893 0.331130 H\n0.362602 0.212247 0.613073 H\n0.827788 0.519734 0.721799 C\n0.136819 0.714647 0.969563 C\n0.376523 0.768131 0.492094 C\n0.726559 0.175401 0.176724 C\n0.014670 0.465477 0.828809 C\n0.170685 0.892997 0.392399 C\n0.513028 0.309186 0.079521 C\n0.453844 0.877865 0.574772 C\n0.372187 0.547421 0.066024 C\n0.000523 0.659813 0.869749 C\n0.667983 0.754679 0.680080 C\n0.029856 0.134106 0.369155 C\n0.313098 0.118937 0.551518 C\n0.668297 0.510854 0.248739 C\n0.109171 0.242182 0.452524 C\n0.458589 0.644195 0.152684 C\n0.808457 0.271109 0.264567 C\n0.750284 0.907840 0.774902 S\n0.044076 0.923215 0.972334 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6029843683249356,
"density_atomic": 0.10671791885377044,
"volume": 271.7444297216578,
"volume_molar": 5.643045539757763,
"formula_full": "H10 C17 S1 O1",
"formula_reduced": "H10C17SO",
"formula_anonymous": "ABC10D17",
"energy_above_hull": 5.874852189655172,
"spacegroup": 1
}
]
}