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_reduced&page=4531",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4529",
"results": [
{
"id": "jvasp-101924",
"created_at": "2022-09-04T14:36:55.099568Z",
"updated_at": "2022-09-04T14:36:55.099601Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.889253 -0.091469 -0.019534\n2.102758 4.167036 1.065374\n-0.737315 0.032225 15.011696\nZn H C O\n1 16 10 4\ndirect\n0.699303 0.079813 0.833395 Zn\n0.047030 0.679718 0.473870 H\n0.977504 0.610551 0.053639 H\n0.327891 0.749366 0.046352 H\n0.252371 0.437299 0.236105 H\n0.624280 0.545974 0.211363 H\n0.572989 0.249484 0.410281 H\n-0.053297 0.347261 0.378383 H\n0.930693 0.043712 0.581761 H\n0.306838 0.130965 0.545324 H\n0.462888 0.060581 0.131866 H\n0.840035 0.162710 0.110291 H\n0.733017 0.874827 0.305775 H\n0.108637 0.970682 0.275247 H\n0.387724 0.465461 0.640154 H\n0.759460 0.537516 0.597694 H\n0.420901 0.769975 0.438480 H\n0.332517 0.477127 0.951850 C\n0.282575 0.536187 0.046794 C\n0.545049 0.257464 0.126190 C\n0.544848 0.346659 0.218308 C\n0.822151 0.068961 0.296211 C\n0.204348 0.945416 0.555283 C\n0.142529 0.870244 0.463185 C\n0.491914 0.649289 0.625920 C\n0.617867 0.690363 0.717526 C\n0.856774 0.153558 0.388022 C\n0.207756 0.712235 0.882252 O\n0.813658 0.444673 0.782039 O\n0.535112 0.972364 0.724474 O\n0.512059 0.189432 0.946540 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.792725132559741,
"density_atomic": 0.12598875532593742,
"volume": 246.05370471199504,
"volume_molar": 4.779903368693901,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.538693690322581,
"spacegroup": 1
},
{
"id": "jvasp-101923",
"created_at": "2022-09-04T14:36:55.742253Z",
"updated_at": "2022-09-04T14:36:55.742271Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.833546 0.159563 0.558946\n1.673126 4.408013 0.131868\n0.728581 -0.066207 14.829540\nZn H C O\n1 16 10 4\ndirect\n0.081324 0.089634 0.159627 Zn\n0.306726 0.931415 0.537026 H\n0.781872 0.311396 0.924784 H\n0.188009 0.277264 0.965712 H\n0.051248 0.382410 0.765060 H\n0.481313 0.326052 0.799853 H\n0.328036 0.419603 0.601627 H\n0.769640 0.353445 0.631810 H\n0.571600 0.447426 0.436536 H\n0.029507 0.366124 0.458069 H\n0.703608 0.850862 0.871135 H\n0.132034 0.798467 0.906948 H\n0.014989 0.899607 0.704030 H\n0.455268 0.832800 0.735546 H\n0.567044 0.970960 0.372190 H\n0.048577 0.838771 0.379707 H\n0.762626 0.847200 0.561598 H\n0.660948 0.582537 0.043983 C\n0.915384 0.448625 0.952116 C\n0.980199 0.674789 0.881090 C\n0.207399 0.506342 0.789208 C\n0.287515 0.715351 0.713737 C\n0.757622 0.557330 0.452246 C\n0.577173 0.739158 0.544090 C\n0.823498 0.758306 0.372828 C\n0.927786 0.604094 0.278092 C\n0.497353 0.538143 0.622177 C\n0.647068 0.401313 0.109159 O\n0.884348 0.770311 0.208317 O\n0.044009 0.309355 0.273189 O\n0.456655 0.872829 0.050335 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.80170706457072,
"density_atomic": 0.12661998563220847,
"volume": 244.8270693225738,
"volume_molar": 4.756074430060702,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.5384949806451615,
"spacegroup": 1
},
{
"id": "jvasp-101925",
"created_at": "2022-09-04T14:36:56.118528Z",
"updated_at": "2022-09-04T14:36:56.118555Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.876379 0.114344 0.305025\n1.738024 4.387864 0.236757\n-0.359835 0.247440 14.610310\nZn H C O\n1 16 10 4\ndirect\n0.201789 0.945329 0.165914 Zn\n0.263772 0.180822 0.525480 H\n0.407663 0.684388 0.949372 H\n0.919001 0.825865 0.952659 H\n0.313565 0.694544 0.766270 H\n0.831704 0.787131 0.787354 H\n0.175753 0.685212 0.590724 H\n0.704861 0.755017 0.620817 H\n0.014601 0.653843 0.418676 H\n0.553141 0.706819 0.454173 H\n0.462631 0.215035 0.869761 H\n0.981824 0.304689 0.887420 H\n0.386254 0.205575 0.694387 H\n0.915293 0.274226 0.722699 H\n0.127985 0.133160 0.359640 H\n0.684280 0.167611 0.400383 H\n0.801600 0.237191 0.559748 H\n0.171358 0.457808 0.048131 C\n0.172285 0.609816 0.953814 C\n0.187261 0.409832 0.873847 C\n0.106882 0.591314 0.781864 C\n0.104973 0.391476 0.703261 C\n0.839173 0.530410 0.444283 C\n0.979557 0.361188 0.535996 C\n0.842501 0.304729 0.373217 C\n0.674536 0.439207 0.281487 C\n0.986267 0.569398 0.611701 C\n0.054655 0.625341 0.117402 O\n0.721955 0.258243 0.216410 O\n0.476195 0.729771 0.275087 O\n0.278379 0.163561 0.053081 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7932658087716349,
"density_atomic": 0.12602675285368647,
"volume": 245.9795186184804,
"volume_molar": 4.778462210314612,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.538483690322581,
"spacegroup": 1
},
{
"id": "jvasp-112132",
"created_at": "2022-09-04T14:38:43.296868Z",
"updated_at": "2022-09-04T14:38:43.296897Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.881028 -0.084298 -0.019486\n2.105076 4.163457 1.063290\n-0.724149 0.042506 15.012832\nZn H C O\n1 16 10 4\ndirect\n0.018128 0.130206 0.842259 Zn\n0.093231 0.664363 0.464362 H\n0.951663 0.673405 0.077819 H\n0.323290 0.746320 0.035593 H\n0.292243 0.441022 0.237169 H\n0.665706 0.531630 0.201719 H\n0.606376 0.239882 0.400399 H\n0.981756 0.335837 0.369767 H\n0.876029 0.047378 0.565289 H\n0.252936 0.149762 0.543678 H\n0.407415 0.080345 0.130443 H\n0.783221 0.167881 0.093929 H\n0.769177 0.863598 0.297345 H\n0.142495 0.961636 0.265331 H\n0.391589 0.460407 0.629260 H\n0.740618 0.600603 0.622164 H\n0.464881 0.773163 0.439563 H\n0.094994 0.521065 0.957988 C\n0.219817 0.562675 0.049712 C\n0.509405 0.265619 0.120366 C\n0.570738 0.341363 0.212460 C\n0.858629 0.057018 0.287609 C\n0.171210 0.953186 0.549440 C\n0.172285 0.863326 0.457342 C\n0.435618 0.673530 0.628892 C\n0.383482 0.732996 0.723840 C\n0.893005 0.142028 0.379431 C\n-0.101825 0.767086 0.893170 O\n0.505188 0.497588 0.793639 O\n0.204129 0.022214 0.728815 O\n0.179474 0.237724 0.951443 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7998635565212349,
"density_atomic": 0.1264904279658548,
"volume": 245.07783314930543,
"volume_molar": 4.760945833486811,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.5384924,
"spacegroup": 1
},
{
"id": "jvasp-112130",
"created_at": "2022-09-04T14:38:42.961110Z",
"updated_at": "2022-09-04T14:38:42.961131Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.830465 0.155151 0.596362\n1.672586 4.403245 0.175033\n0.700668 -0.136503 14.872215\nZn H C O\n1 16 10 4\ndirect\n0.618993 0.100428 0.169278 Zn\n0.212743 0.865333 0.529066 H\n0.643550 0.355863 0.950651 H\n0.126590 0.219935 0.956499 H\n0.925404 0.347329 0.768510 H\n0.383662 0.259047 0.791483 H\n0.235160 0.359397 0.593978 H\n0.676197 0.290728 0.624710 H\n0.562470 0.392254 0.422320 H\n0.990616 0.338972 0.457714 H\n0.666291 0.827950 0.871826 H\n0.126789 0.742575 0.891626 H\n0.923031 0.839256 0.697429 H\n0.365571 0.771416 0.726648 H\n0.509167 0.913532 0.363248 H\n0.915179 0.878338 0.403711 H\n0.642604 0.808163 0.563395 H\n0.771125 0.587322 0.051035 C\n0.871242 0.434053 0.956550 C\n0.937549 0.634890 0.876907 C\n0.113984 0.453167 0.785087 C\n0.194961 0.653674 0.706724 C\n0.714518 0.515596 0.447850 C\n0.486189 0.684530 0.539605 C\n0.781298 0.741570 0.376693 C\n0.036862 0.607298 0.284869 C\n0.404156 0.475927 0.615273 C\n0.816375 0.420359 0.120587 O\n0.051882 0.788547 0.219632 O\n0.241026 0.316765 0.278552 O\n0.656115 0.882141 0.055945 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7995763163765466,
"density_atomic": 0.12647024136409882,
"volume": 245.11695135263645,
"volume_molar": 4.761705753895642,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.538493045161291,
"spacegroup": 1
},
{
"id": "jvasp-112131",
"created_at": "2022-09-04T14:38:45.238593Z",
"updated_at": "2022-09-04T14:38:45.238616Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n4.059626 0.197397 0.225366\n1.183243 4.322020 0.477735\n0.282658 -0.038433 14.570928\nZn H C O\n1 16 10 4\ndirect\n0.138119 0.875514 0.837508 Zn\n0.068981 0.797760 0.477366 H\n0.831884 0.335146 0.073895 H\n0.437456 0.351930 0.025885 H\n0.558247 0.319518 0.234335 H\n0.150669 0.347434 0.194361 H\n0.318564 0.296864 0.398295 H\n0.902987 0.336785 0.361345 H\n0.128822 0.278178 0.565631 H\n0.716807 0.289334 0.532602 H\n0.519653 0.846443 0.145234 H\n0.130545 0.847389 0.099154 H\n0.296516 0.817339 0.310999 H\n0.886343 0.849310 0.271595 H\n0.835931 0.789196 0.642692 H\n0.431915 0.750991 0.622275 H\n0.652356 0.821394 0.444458 H\n0.658719 0.691114 0.964150 C\n0.584242 0.495597 0.049379 C\n0.377561 0.692024 0.126059 C\n0.310090 0.488999 0.212052 C\n0.134549 0.678193 0.293078 C\n0.871062 0.438405 0.548048 C\n0.907880 0.654410 0.461988 C\n0.705198 0.615510 0.632028 C\n0.728777 0.411787 0.722910 C\n0.070008 0.472013 0.378673 C\n0.959142 0.596554 0.925271 O\n0.513137 0.495979 0.788934 O\n0.986223 0.155228 0.728629 O\n0.424977 0.939443 0.933727 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7499324360913762,
"density_atomic": 0.12298137931096975,
"volume": 252.07068072975213,
"volume_molar": 4.896790712334152,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.538685625806452,
"spacegroup": 1
},
{
"id": "jvasp-112133",
"created_at": "2022-09-04T14:38:44.561278Z",
"updated_at": "2022-09-04T14:38:44.561313Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.838504 -0.132689 -0.563644\n-1.724491 4.399743 0.103630\n-0.719170 0.001223 14.821876\nZn H C O\n1 16 10 4\ndirect\n0.625200 0.914965 0.831361 Zn\n0.215355 0.153454 0.471871 H\n0.649915 0.662751 0.050821 H\n0.132648 0.797271 0.044359 H\n0.934065 0.672695 0.233419 H\n0.390797 0.758320 0.209332 H\n0.243239 0.659537 0.407872 H\n0.682980 0.726245 0.376244 H\n0.569282 0.625409 0.579392 H\n-0.003830 0.676683 0.543144 H\n0.668773 0.192066 0.129491 H\n0.127597 0.274624 0.108613 H\n0.926456 0.180547 0.303695 H\n0.367646 0.246461 0.273514 H\n0.510264 0.105054 0.637911 H\n0.912994 0.136361 0.596068 H\n0.644055 0.208901 0.436686 H\n0.775485 0.429885 0.949678 C\n0.876340 0.583908 0.044486 C\n0.940971 0.383694 0.124033 C\n0.120118 0.565613 0.216082 C\n0.199181 0.365037 0.294153 C\n0.719141 0.501299 0.553169 C\n0.489659 0.333194 0.461168 C\n0.783131 0.274954 0.623934 C\n0.041282 0.408414 0.715661 C\n0.410078 0.542179 0.385884 C\n0.820012 0.595867 0.879967 O\n0.057128 0.227143 0.780541 O\n0.246516 0.698451 0.722168 O\n0.660958 0.135600 0.944726 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7993057880960286,
"density_atomic": 0.12645122923517627,
"volume": 245.15380504799714,
"volume_molar": 4.762421683382701,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.538492077419355,
"spacegroup": 1
},
{
"id": "jvasp-112134",
"created_at": "2022-09-04T14:38:45.309240Z",
"updated_at": "2022-09-04T14:38:45.309258Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.062418 0.155758 -0.112071\n1.473371 4.258381 0.184904\n-0.295491 0.252942 16.164816\nZn H C O\n1 18 11 4\ndirect\n0.839760 -0.051768 0.155969 Zn\n0.659654 0.264331 0.504009 H\n0.633627 0.777174 0.428703 H\n0.078420 0.767867 0.890820 H\n0.585866 0.697380 0.744893 H\n0.121834 0.822019 0.733058 H\n0.611528 0.738059 0.585974 H\n0.147172 0.865675 0.575047 H\n0.195421 0.393098 0.492562 H\n0.541359 0.656773 0.904482 H\n0.588547 0.129339 0.975963 H\n0.128441 0.235953 0.959704 H\n0.618702 0.183276 0.819026 H\n0.156154 0.299904 0.805310 H\n0.640250 0.225698 0.661311 H\n0.176357 0.350987 0.649857 H\n0.690675 0.295340 0.347017 H\n0.220813 0.433097 0.332569 H\n0.169189 0.901576 0.415519 H\n0.274082 0.486516 0.051453 C\n0.338463 0.334284 0.969525 C\n0.329177 0.561367 0.895015 C\n0.370215 0.393929 0.813993 C\n0.367241 0.608531 0.737443 C\n0.414445 0.688845 0.421755 C\n0.391244 0.650854 0.579454 C\n0.416107 0.479709 0.499319 C\n0.447236 0.508522 0.342469 C\n0.453767 0.716286 0.266715 C\n0.395264 0.439819 0.656827 C\n0.029496 0.763601 0.050884 O\n0.738782 0.637016 0.229663 O\n0.183017 0.966811 0.244421 O\n0.443644 0.343033 0.118574 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.6853540104099292,
"density_atomic": 0.12338983770686532,
"volume": 275.5494344742806,
"volume_molar": 4.880580825713278,
"formula_full": "Zn1 H18 C11 O4",
"formula_reduced": "ZnH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.575669247058824,
"spacegroup": 1
},
{
"id": "jvasp-112138",
"created_at": "2022-09-04T14:38:44.966254Z",
"updated_at": "2022-09-04T14:38:44.966280Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.401702 0.022215 0.796034\n-2.295212 4.335555 -1.082941\n0.111321 -0.235885 14.188396\nZn H C O\n1 18 11 4\ndirect\n0.157405 0.228545 0.160638 Zn\n0.067954 0.019081 0.539938 H\n0.601104 0.561661 0.449759 H\n0.010918 0.238168 0.925277 H\n0.129066 0.162898 0.697790 H\n0.903042 0.867711 0.768332 H\n0.780819 0.512624 0.605260 H\n0.106478 0.426405 0.538839 H\n0.376852 0.914270 0.471948 H\n0.209131 0.543412 0.858032 H\n0.727052 0.791830 0.947198 H\n0.582318 0.458537 0.001129 H\n0.655453 0.360466 0.783141 H\n0.445490 0.057394 0.851617 H\n0.546513 0.937990 0.631489 H\n0.294711 0.638030 0.699343 H\n0.955395 0.082066 0.386257 H\n0.205183 0.926443 0.309932 H\n0.901435 0.446022 0.381178 H\n0.302062 0.716984 0.056012 C\n0.499092 0.597988 0.974210 C\n0.260246 0.395763 0.892451 C\n0.402258 0.206639 0.815594 C\n0.160662 0.010029 0.735202 C\n0.870416 0.649041 0.419775 C\n0.052981 0.618603 0.576603 C\n0.106726 0.818500 0.502453 C\n0.947261 0.861700 0.347739 C\n0.699884 0.736416 0.270319 C\n0.281859 0.799203 0.661125 C\n0.092231 0.539223 0.115398 O\n0.726829 0.911398 0.213152 O\n0.463217 0.458926 0.266732 O\n0.336523 -0.014047 0.057340 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7173736567404119,
"density_atomic": 0.12573409234995275,
"volume": 270.4119413004438,
"volume_molar": 4.789584628518029,
"formula_full": "Zn1 H18 C11 O4",
"formula_reduced": "ZnH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.5754624823529415,
"spacegroup": 1
},
{
"id": "jvasp-112135",
"created_at": "2022-09-04T14:38:45.026251Z",
"updated_at": "2022-09-04T14:38:45.026283Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.088383 0.144292 0.434496\n1.239432 4.274930 0.452984\n0.486638 0.221650 15.694326\nZn H C O\n1 18 11 4\ndirect\n0.074529 -0.008742 0.156887 Zn\n0.055169 0.762383 0.493711 H\n0.219304 0.282194 0.410305 H\n0.795853 0.217939 0.927851 H\n0.721958 0.241255 0.725446 H\n0.122654 0.164908 0.765685 H\n0.991134 0.245853 0.568868 H\n0.404041 0.155373 0.603551 H\n0.476575 0.654973 0.523904 H\n0.418531 0.268506 0.879103 H\n0.179630 0.827324 0.931004 H\n0.544311 0.751209 0.985025 H\n0.503542 0.760761 0.791894 H\n0.898185 0.683052 0.834517 H\n0.794478 0.746275 0.644825 H\n0.203603 0.654076 0.681357 H\n0.287022 0.816856 0.342807 H\n0.727021 0.668614 0.361348 H\n0.645137 0.174855 0.438082 H\n0.199020 0.507603 0.042271 C\n0.378550 0.633988 0.962121 C\n0.583053 0.396958 0.897349 C\n0.720737 0.566878 0.816668 C\n0.899436 0.357428 0.743361 C\n0.415930 0.379275 0.426477 C\n0.176854 0.354186 0.586118 C\n0.280872 0.556158 0.507798 C\n0.504001 0.598822 0.349867 C\n0.590565 0.449855 0.264873 C\n0.017897 0.546103 0.663939 C\n0.289973 0.208173 0.060551 O\n0.832368 0.180851 0.262180 O\n0.430333 0.583234 0.200735 O\n0.962252 0.701600 0.087329 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.717904438606456,
"density_atomic": 0.12577295248729148,
"volume": 270.32839197629136,
"volume_molar": 4.788104787957886,
"formula_full": "Zn1 H18 C11 O4",
"formula_reduced": "ZnH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.575685717647059,
"spacegroup": 1
},
{
"id": "jvasp-112136",
"created_at": "2022-09-04T14:38:44.870649Z",
"updated_at": "2022-09-04T14:38:44.870682Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.371457 -0.014054 -0.030291\n-2.071438 4.366397 -0.595797\n-0.113023 -0.312230 14.219866\nZn H C O\n1 18 11 4\ndirect\n0.270029 0.768199 0.838084 Zn\n0.440913 0.922785 0.548663 H\n0.911631 0.458032 0.582178 H\n0.070849 0.702428 0.057027 H\n0.162666 0.028185 0.260183 H\n0.457895 0.897329 0.214511 H\n0.543147 0.249879 0.418340 H\n0.826092 0.106054 0.371349 H\n0.724197 0.781799 0.500985 H\n0.753285 0.792891 0.107870 H\n0.361304 0.207543 0.080883 H\n0.670425 0.152239 0.014712 H\n0.710287 0.474272 0.234080 H\n0.008219 0.357469 0.182431 H\n0.069622 0.712102 0.391068 H\n0.353808 0.568970 0.344527 H\n0.090988 -0.033839 0.648938 H\n0.325121 0.368032 0.690253 H\n0.191008 0.327557 0.524885 H\n0.406398 0.367952 0.950098 C\n0.572050 0.322488 0.037247 C\n0.844109 0.612960 0.096770 C\n0.937008 0.551052 0.193355 C\n0.225885 0.829886 0.252829 C\n0.969542 0.257505 0.567447 C\n0.596443 0.045997 0.410652 C\n0.669644 0.985046 0.509267 C\n0.074828 0.186864 0.661942 C\n0.822695 0.166113 0.735356 C\n0.299567 0.772362 0.351907 C\n0.459492 0.642402 0.942259 O\n0.841959 0.409052 0.788100 O\n0.584358 0.898715 0.737791 O\n0.206462 0.133727 0.890995 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7189798484982706,
"density_atomic": 0.1258516864809805,
"volume": 270.1592720025909,
"volume_molar": 4.785109304760969,
"formula_full": "Zn1 H18 C11 O4",
"formula_reduced": "ZnH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.575469835294118,
"spacegroup": 1
},
{
"id": "jvasp-112139",
"created_at": "2022-09-04T14:38:45.406115Z",
"updated_at": "2022-09-04T14:38:45.406141Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.185558 -0.325759 -0.252381\n-1.513608 4.391157 -0.020677\n-0.017056 0.123099 15.158224\nZn H C O\n1 18 11 4\ndirect\n0.018338 0.843200 0.844584 Zn\n0.251301 0.751483 0.535034 H\n0.715125 0.289858 0.566083 H\n0.053369 0.842178 0.075180 H\n0.049064 0.035078 0.265584 H\n0.369585 -0.078737 0.227396 H\n0.376123 0.154596 0.415567 H\n0.687366 0.030898 0.376420 H\n0.559144 0.625586 0.494622 H\n0.725447 0.935619 0.117679 H\n0.288564 0.374784 0.069046 H\n0.633335 0.338008 0.014023 H\n0.592680 0.494257 0.223915 H\n-0.082116 0.393979 0.181793 H\n0.908495 0.617647 0.379887 H\n0.222711 0.496013 0.340831 H\n0.655198 0.934498 0.690533 H\n0.919511 0.768026 0.641834 H\n0.022871 0.172474 0.520198 H\n0.455357 0.670024 0.958855 C\n0.533811 0.507259 0.038758 C\n0.802222 0.739097 0.105168 C\n0.844168 0.592937 0.193371 C\n0.116923 0.830709 0.257371 C\n0.785115 0.087973 0.556489 C\n0.439979 0.947432 0.408858 C\n0.494405 0.832151 0.501013 C\n0.866924 0.981172 0.646431 C\n0.295358 0.200734 0.768231 C\n0.158182 0.702371 0.348528 C\n0.695798 0.904280 0.926256 O\n0.576786 0.409026 0.794810 O\n0.180991 0.236522 0.684103 O\n0.140635 0.570931 0.927929 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7126088617537818,
"density_atomic": 0.12538524737348175,
"volume": 271.1642773948126,
"volume_molar": 4.8029101398683745,
"formula_full": "Zn1 H18 C11 O4",
"formula_reduced": "ZnH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.577020129411765,
"spacegroup": 1
}
]
}