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=-nsites&page=136",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=134",
"results": [
{
"id": "jvasp-97414",
"created_at": "2022-09-04T14:35:54.203921Z",
"updated_at": "2022-09-04T14:35:54.203948Z",
"structure_string": "Tb6 Si4 Cl10 O12\n1.0\n7.320859 0.009340 1.217662\n-0.023964 7.320826 1.217662\n0.007561 0.007596 11.673761\nTb Si Cl O\n6 4 10 12\ndirect\n0.918801 0.414194 0.332095 Tb\n0.081200 0.585807 0.667904 Tb\n0.500000 0.000000 -0.000000 Tb\n0.414194 0.918801 0.332095 Tb\n0.000000 0.500000 -0.000000 Tb\n0.585806 0.081200 0.667904 Tb\n0.890431 0.182938 0.854838 Si\n0.109569 0.817063 0.145161 Si\n0.182937 0.890432 0.854838 Si\n0.817063 0.109569 0.145161 Si\n0.317258 0.894734 0.579180 Cl\n0.616634 0.616635 0.359437 Cl\n0.681946 0.681946 0.003741 Cl\n0.682743 0.105267 0.420819 Cl\n0.894733 0.317258 0.579180 Cl\n0.105267 0.682743 0.420819 Cl\n0.765263 0.765264 0.669543 Cl\n0.318054 0.318055 0.996258 Cl\n0.234737 0.234737 0.330457 Cl\n0.383366 0.383367 0.640562 Cl\n0.048420 0.048421 0.802811 O\n0.044141 0.605589 0.172395 O\n0.605588 0.044141 0.172395 O\n0.859207 0.140793 -0.000000 O\n0.955859 0.394412 0.827605 O\n0.951580 0.951581 0.197188 O\n0.394412 0.955860 0.827605 O\n0.692017 0.133296 0.827420 O\n0.133296 0.692018 0.827420 O\n0.866704 0.307983 0.172580 O\n0.307984 0.866705 0.172580 O\n0.140793 0.859208 -0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Tb",
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-O-Si-Tb",
"density": 4.280412202080487,
"density_atomic": 0.05115747878982577,
"volume": 625.5194891731877,
"volume_molar": 11.771770037263227,
"formula_full": "Tb6 Si4 Cl10 O12",
"formula_reduced": "Tb3Si2Cl5O6",
"formula_anonymous": "A2B3C5D6",
"energy_above_hull": 1.80710710859375,
"spacegroup": 12
},
{
"id": "jvasp-112040",
"created_at": "2022-09-04T14:38:42.693280Z",
"updated_at": "2022-09-04T14:38:42.693313Z",
"structure_string": "H10 C16 N2 O4\n1.0\n5.037053 0.339335 -0.010604\n-0.039527 5.753958 -0.046616\n0.022902 -0.017691 10.589655\nH C N O\n10 16 2 4\ndirect\n0.157172 0.936818 0.319394 H\n0.860171 0.058981 0.134871 H\n0.718741 0.620459 0.737078 H\n0.400138 0.947156 0.799103 H\n0.131224 0.420928 0.070931 H\n0.184867 0.749709 0.069810 H\n0.198825 0.260816 0.328459 H\n0.711438 0.122624 0.651252 H\n0.397714 0.451440 0.590625 H\n0.877670 0.568895 0.263417 H\n0.606567 0.021992 0.973351 C\n0.144873 0.436628 0.878793 C\n0.832264 0.964645 0.046715 C\n0.011250 0.785938 0.010778 C\n0.966457 0.652626 0.901725 C\n0.751526 0.718435 0.823520 C\n0.571813 0.903774 0.858476 C\n0.407443 0.174616 0.043697 C\n0.021843 0.295115 0.385554 C\n0.844410 0.473445 0.349649 C\n0.970156 0.158895 0.491146 C\n0.750001 0.222601 0.567152 C\n0.572534 0.408728 0.532852 C\n0.613799 0.528586 0.420390 C\n0.418741 0.680481 0.348662 C\n0.146327 0.942075 0.512370 C\n0.241671 0.854466 0.395472 N\n0.226337 0.342493 0.995566 N\n0.206371 0.349838 0.776032 O\n0.194819 0.848718 0.613991 O\n0.415916 0.654088 0.232248 O\n0.400444 0.152879 0.160091 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.591333308656356,
"density_atomic": 0.10421457026392149,
"volume": 307.05879148146545,
"volume_molar": 5.778597699677731,
"formula_full": "H10 C16 N2 O4",
"formula_reduced": "H5C8NO2",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 5.533773765625001,
"spacegroup": 1
},
{
"id": "jvasp-112018",
"created_at": "2022-09-04T14:38:42.783750Z",
"updated_at": "2022-09-04T14:38:42.783770Z",
"structure_string": "H10 C16 S2 N2 O2\n1.0\n3.611943 -0.008078 0.133957\n1.006654 8.722844 2.979385\n-0.013755 -0.135482 10.213688\nH C S N O\n10 16 2 2 2\ndirect\n0.217100 0.664234 0.812363 H\n0.243237 0.006173 0.153382 H\n0.676245 0.771200 0.637707 H\n0.676243 0.271200 0.137706 H\n0.693537 0.612387 0.479512 H\n0.243238 0.506173 0.653382 H\n0.593329 0.183383 0.491697 H\n0.593328 0.683383 0.991698 H\n0.217099 0.164234 0.312363 H\n0.693536 0.112388 0.979512 H\n0.477473 0.800424 0.305595 C\n0.333608 0.955499 0.259924 C\n0.333610 0.455500 0.759923 C\n0.317017 0.042763 0.348052 C\n0.317017 0.542763 0.848052 C\n0.454444 0.084504 0.683832 C\n0.454442 0.584504 0.183833 C\n0.477474 0.300425 0.805595 C\n0.580188 0.732113 0.444154 C\n0.452902 0.477507 0.983184 C\n0.580188 0.232114 0.944154 C\n0.569857 0.820779 0.533175 C\n0.569855 0.320779 0.033175 C\n0.572851 0.234234 0.692179 C\n0.572849 0.734234 0.192180 C\n0.452902 0.977507 0.483184 C\n0.264304 0.460461 0.314187 S\n0.264304 0.960461 0.814187 S\n0.505956 0.582427 0.053177 N\n0.505958 0.082427 0.553177 N\n0.741902 0.811817 0.092100 O\n0.741903 0.311817 0.592100 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6762384484137305,
"density_atomic": 0.09896829966504107,
"volume": 323.33585712095925,
"volume_molar": 6.084918888555203,
"formula_full": "H10 C16 S2 N2 O2",
"formula_reduced": "H5C8SNO",
"formula_anonymous": "ABCD5E8",
"energy_above_hull": 5.502782296874999,
"spacegroup": 1
},
{
"id": "jvasp-20757",
"created_at": "2022-09-04T14:38:33.753192Z",
"updated_at": "2022-09-04T14:38:33.753227Z",
"structure_string": "Na2 B30\n1.0\n5.344620 -0.000000 2.349816\n2.147399 6.525366 2.368811\n-0.005933 -0.022016 7.266530\nNa B\n2 30\ndirect\n0.750000 0.912557 0.587444 Na\n0.250000 0.087443 0.412557 Na\n0.665970 0.546206 0.616917 B\n0.829092 0.453794 0.383083 B\n0.834031 0.883083 0.953794 B\n0.670908 0.116917 0.046206 B\n0.334031 0.453794 0.383083 B\n0.170908 0.546206 0.616917 B\n0.165970 0.116917 0.046206 B\n0.329093 0.883083 0.953794 B\n0.613912 0.712460 0.381153 B\n0.707525 0.287540 0.618848 B\n0.886089 0.118847 0.787541 B\n0.792475 0.881153 0.212460 B\n0.386088 0.287540 0.618847 B\n0.292476 0.712460 0.381153 B\n0.250000 0.494356 0.005645 B\n0.645665 0.750880 0.957791 B\n0.354335 0.249120 0.042209 B\n0.854336 0.542209 0.749120 B\n0.145664 0.457791 0.250880 B\n0.664786 0.286885 0.383545 B\n0.335215 0.713115 0.616455 B\n0.835215 0.116455 0.213115 B\n0.164786 0.883545 0.786885 B\n0.603042 0.547812 0.246104 B\n0.396959 0.452188 0.753896 B\n0.896959 0.253895 0.952189 B\n0.103042 0.746105 0.047811 B\n0.750001 0.505644 0.994356 B\n0.207525 0.118847 0.787540 B\n0.113912 0.881153 0.212460 B\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Na",
"B"
],
"chemical_system": "B-Na",
"density": 2.423942198555396,
"density_atomic": 0.12614157270147733,
"volume": 253.68321731432818,
"volume_molar": 4.77411263473923,
"formula_full": "Na2 B30",
"formula_reduced": "NaB15",
"formula_anonymous": "AB15",
"energy_above_hull": 5.177404859375001,
"spacegroup": 74
},
{
"id": "jvasp-31081",
"created_at": "2022-09-04T14:38:33.262503Z",
"updated_at": "2022-09-04T14:38:33.262528Z",
"structure_string": "Li12 Nb4 O16\n1.0\n6.909948 -0.000000 -2.443036\n-3.454974 5.984191 -2.443036\n0.000000 0.000000 7.329106\nLi Nb O\n12 4 16\ndirect\n0.515191 0.273988 0.999989 Li\n0.274000 0.515203 0.000011 Li\n0.726001 0.726012 0.241203 Li\n0.484797 0.758796 0.484809 Li\n0.484809 0.484796 0.758796 Li\n0.726012 0.241204 0.726000 Li\n0.000012 0.274000 0.515204 Li\n0.273989 0.999988 0.515191 Li\n0.241204 0.726000 0.726012 Li\n0.515204 0.000012 0.274000 Li\n0.999989 0.515191 0.273988 Li\n0.758797 0.484809 0.484796 Li\n0.282093 0.282093 0.282093 Nb\n-0.000000 -0.000000 0.717908 Nb\n0.000000 0.717907 -0.000000 Nb\n0.717908 0.000000 -0.000000 Nb\n-0.000003 0.757671 0.511585 O\n0.488412 0.488415 0.246085 O\n0.488415 0.246086 0.488412 O\n0.242326 0.753914 0.242329 O\n0.511589 0.757674 0.000003 O\n0.511585 -0.000003 0.757671 O\n0.242329 0.242326 0.753915 O\n0.757674 0.000003 0.511588 O\n0.246086 0.488412 0.488415 O\n0.228589 0.000000 -0.000000 O\n-0.000000 -0.000000 0.228589 O\n0.000000 0.228589 -0.000000 O\n0.771412 0.771411 0.771411 O\n0.000003 0.511588 0.757674 O\n0.757671 0.511585 -0.000004 O\n0.753915 0.242329 0.242326 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O",
"density": 3.895213093322775,
"density_atomic": 0.10558901770025546,
"volume": 303.0618211719814,
"volume_molar": 5.703377956498813,
"formula_full": "Li12 Nb4 O16",
"formula_reduced": "Li3NbO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.184437925,
"spacegroup": 217
},
{
"id": "jvasp-20879",
"created_at": "2022-09-04T14:38:34.091320Z",
"updated_at": "2022-09-04T14:38:34.091340Z",
"structure_string": "Ag4 Sb4 F24\n1.0\n7.971226 0.000000 -2.818253\n-3.985613 6.903284 -2.818253\n-0.000000 -0.000000 8.454761\nAg Sb F\n4 4 24\ndirect\n0.000000 0.500000 0.000000 Ag\n0.500000 -0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.413504 0.676657 0.966523 F\n0.823343 0.236847 0.289867 F\n0.086496 0.053018 0.263153 F\n0.533478 0.210134 0.446982 F\n0.033477 0.586496 0.323343 F\n0.763154 0.710133 0.176658 F\n0.736847 0.913504 0.946982 F\n0.789867 0.553018 0.466523 F\n0.966523 0.413504 0.676658 F\n0.710134 0.176657 0.763154 F\n0.946982 0.736846 0.913505 F\n0.586496 0.323342 0.033478 F\n0.176658 0.763153 0.710134 F\n0.913505 0.946981 0.736847 F\n0.466523 0.789866 0.553019 F\n0.053018 0.263153 0.086496 F\n0.289866 0.823342 0.236847 F\n0.676658 0.966522 0.413505 F\n0.446982 0.533477 0.210134 F\n0.210134 0.446981 0.533478 F\n0.263153 0.086496 0.053019 F\n0.236847 0.289866 0.823343 F\n0.323343 0.033477 0.586496 F\n0.553019 0.466522 0.789867 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"F"
],
"chemical_system": "Ag-F-Sb",
"density": 4.905729285562564,
"density_atomic": 0.0687808882233502,
"volume": 465.24551843656513,
"volume_molar": 8.755543749950533,
"formula_full": "Ag4 Sb4 F24",
"formula_reduced": "AgSbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 206
},
{
"id": "jvasp-25966",
"created_at": "2022-09-04T14:38:33.606003Z",
"updated_at": "2022-09-04T14:38:33.606027Z",
"structure_string": "Sr2 Ta8 O22\n1.0\n3.151655 -5.458826 -0.000000\n3.151655 5.458826 0.000000\n-0.000000 0.000000 12.456677\nSr Ta O\n2 8 22\ndirect\n0.666668 0.333334 0.250000 Sr\n0.333334 0.666668 0.750000 Sr\n0.357358 0.000000 0.000000 Ta\n0.642644 0.642644 0.000000 Ta\n0.357358 0.357358 0.500000 Ta\n0.000000 0.642643 0.500000 Ta\n0.000000 0.357358 0.000000 Ta\n0.666668 0.333334 0.750000 Ta\n0.333334 0.666668 0.250000 Ta\n0.642643 0.000000 0.500000 Ta\n0.629745 0.567530 0.845498 O\n0.370257 0.937786 0.154502 O\n0.629745 0.062216 0.654502 O\n0.432472 0.062216 0.845498 O\n0.937786 0.567530 0.654502 O\n0.432472 0.370256 0.654502 O\n0.370256 0.432472 0.345498 O\n0.062216 0.629745 0.345498 O\n0.937786 0.370257 0.845498 O\n0.567530 0.937786 0.345498 O\n0.245934 0.000000 0.500000 O\n0.754067 0.000000 0.000000 O\n0.245934 0.245934 0.000000 O\n0.754067 0.754067 0.500000 O\n0.567530 0.629745 0.154502 O\n0.000000 0.754067 0.000000 O\n0.333334 0.666668 0.965624 O\n0.666668 0.333334 0.465624 O\n0.666668 0.333334 0.034376 O\n0.333334 0.666668 0.534376 O\n0.000000 0.245934 0.500000 O\n0.062216 0.432472 0.154502 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sr",
"Ta",
"O"
],
"chemical_system": "O-Sr-Ta",
"density": 7.650754364990621,
"density_atomic": 0.0746586026281175,
"volume": 428.61771950642344,
"volume_molar": 8.066238247180875,
"formula_full": "Sr2 Ta8 O22",
"formula_reduced": "SrTa4O11",
"formula_anonymous": "AB4C11",
"energy_above_hull": 3.921091975625,
"spacegroup": 182
},
{
"id": "jvasp-112057",
"created_at": "2022-09-04T14:38:42.200501Z",
"updated_at": "2022-09-04T14:38:42.200531Z",
"structure_string": "H12 C14 N4 O2\n1.0\n6.499317 0.212452 -3.194542\n-3.480812 5.985731 -0.465599\n-0.190848 -0.130477 6.918595\nH C N O\n12 14 4 2\ndirect\n0.741870 0.133012 0.670977 H\n0.061750 0.429899 0.775329 H\n0.220927 0.204602 0.859888 H\n0.352564 0.008192 0.376873 H\n0.428079 0.270144 0.634632 H\n0.218808 0.674106 0.148052 H\n0.063871 0.960397 0.487169 H\n0.698249 0.870463 0.203307 H\n0.540806 0.501485 0.964243 H\n0.854503 0.364340 0.000547 H\n0.930050 0.626288 0.258333 H\n0.584426 0.764036 0.431915 H\n0.103976 0.897307 0.633466 C\n0.091119 0.597145 0.790654 C\n0.178717 0.737196 0.001759 C\n0.391186 0.307671 0.327708 C\n0.051464 0.675951 0.601513 C\n0.231238 0.958555 0.033713 C\n0.191571 0.037357 0.844570 C\n0.551245 0.602991 0.678932 C\n0.692933 0.994503 0.735740 C\n0.891581 0.326854 0.307544 C\n0.731449 0.031512 0.956294 C\n0.589755 0.639997 0.899483 C\n0.677730 0.849628 0.036881 C\n0.604957 0.784875 0.598341 C\n0.964650 0.548983 0.380562 N\n0.818916 0.249964 0.080727 N\n0.463776 0.384537 0.554500 N\n0.318056 0.085527 0.254665 N\n0.891802 0.207753 0.433001 O\n0.391085 0.426802 0.202288 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6572973146165617,
"density_atomic": 0.11904964300373017,
"volume": 268.7954301467107,
"volume_molar": 5.0585122374632485,
"formula_full": "H12 C14 N4 O2",
"formula_reduced": "H6C7N2O",
"formula_anonymous": "AB2C6D7",
"energy_above_hull": 5.47992,
"spacegroup": 2
},
{
"id": "jvasp-21668",
"created_at": "2022-09-04T14:38:33.440593Z",
"updated_at": "2022-09-04T14:38:33.440612Z",
"structure_string": "Li8 Mg4 Si4 O16\n1.0\n0.000000 5.019720 -0.006511\n10.743622 0.000000 0.000000\n0.000000 -4.962428 -6.284907\nLi Mg Si O\n8 4 4 16\ndirect\n0.687650 0.837728 0.997402 Li\n0.312350 0.337728 0.502599 Li\n0.312350 0.162272 0.002599 Li\n0.687650 0.662272 0.497401 Li\n0.535600 0.925488 0.238114 Li\n0.464400 0.425488 0.261886 Li\n0.464400 0.074512 0.761886 Li\n0.535600 0.574512 0.738114 Li\n0.190900 0.834219 0.500675 Mg\n0.809100 0.165780 0.499325 Mg\n0.190900 0.665780 0.000675 Mg\n0.809100 0.334220 -0.000675 Mg\n0.935318 0.913922 0.749783 Si\n0.935318 0.586078 0.249783 Si\n0.064682 0.086078 0.250218 Si\n0.064682 0.413922 0.750218 Si\n0.956696 0.941209 0.249071 O\n0.043304 0.058790 0.750929 O\n0.604324 0.910388 0.748409 O\n0.395676 0.410388 0.751592 O\n0.395676 0.089612 0.251591 O\n0.043304 0.441209 0.250929 O\n0.172854 0.159666 0.466900 O\n0.172854 0.340334 0.966900 O\n0.256149 0.660199 0.462999 O\n0.604324 0.589612 0.248409 O\n0.743851 0.339801 0.537002 O\n0.256149 0.839801 0.962999 O\n0.743851 0.160199 0.037002 O\n0.956696 0.558790 0.749071 O\n0.827146 0.840334 0.533101 O\n0.827146 0.659666 0.033100 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Si",
"O"
],
"chemical_system": "Li-Mg-O-Si",
"density": 2.5502350589423695,
"density_atomic": 0.09431404137308684,
"volume": 339.2920029098808,
"volume_molar": 6.3852006258301,
"formula_full": "Li8 Mg4 Si4 O16",
"formula_reduced": "Li2MgSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.58695520625,
"spacegroup": 14
},
{
"id": "jvasp-112008",
"created_at": "2022-09-04T14:38:42.612424Z",
"updated_at": "2022-09-04T14:38:42.612451Z",
"structure_string": "Sn1 H16 C9 O6\n1.0\n4.792273 -0.004336 -0.418844\n-0.471368 6.277800 -1.412228\n0.235952 0.015007 9.262890\nSn H C O\n1 16 9 6\ndirect\n0.943792 0.921931 0.101635 Sn\n0.166210 0.452911 0.504227 H\n0.977309 0.741686 0.841852 H\n0.296484 0.614905 0.678939 H\n0.731887 0.715129 0.571525 H\n0.427574 0.782682 0.479632 H\n0.435359 0.440993 0.285048 H\n0.775230 0.403512 0.359222 H\n0.297745 0.047432 0.308528 H\n0.141523 0.093844 0.577739 H\n0.598595 0.232702 0.518648 H\n0.669357 0.383134 0.701371 H\n0.509883 0.450902 0.938675 H\n0.216716 0.409360 0.039444 H\n0.043307 0.398457 0.789545 H\n0.987899 0.143969 0.823327 H\n0.418819 0.030733 0.691409 H\n0.343235 0.333385 0.949602 C\n0.151563 0.259936 0.806436 C\n0.499603 0.321124 0.615593 C\n0.301011 0.163683 0.668833 C\n0.542785 0.647832 0.499080 C\n0.357857 0.510856 0.576333 C\n0.749911 0.666858 0.259164 C\n0.470125 0.151441 0.999926 C\n0.626644 0.522938 0.348279 C\n0.609557 0.818620 0.226240 O\n0.829603 0.723625 0.906826 O\n0.135578 0.119645 0.280265 O\n0.327370 0.976278 0.993087 O\n0.729004 0.177975 0.049563 O\n-0.006226 0.646359 0.211837 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.0144760810514253,
"density_atomic": 0.11453898164911443,
"volume": 279.3808670137361,
"volume_molar": 5.257721583773624,
"formula_full": "Sn1 H16 C9 O6",
"formula_reduced": "SnH16(C3O2)3",
"formula_anonymous": "AB6C9D16",
"energy_above_hull": 4.429896021875,
"spacegroup": 1
},
{
"id": "jvasp-112015",
"created_at": "2022-09-04T14:38:42.907826Z",
"updated_at": "2022-09-04T14:38:42.907857Z",
"structure_string": "H12 C19 O1\n1.0\n3.734006 -0.025327 -0.001469\n-1.229536 5.736295 -0.000981\n0.003862 0.001278 13.726306\nH C O\n12 19 1\ndirect\n0.346651 0.129294 0.282337 H\n0.838397 0.224288 0.378998 H\n0.142662 0.046549 0.113121 H\n0.446424 0.862176 0.557345 H\n0.508810 0.775566 0.894415 H\n0.698151 0.858211 0.210836 H\n0.346805 0.129287 0.653969 H\n0.698013 0.858233 0.725557 H\n0.508966 0.775538 0.041951 H\n0.838420 0.224291 0.557335 H\n0.142836 0.046541 0.823164 H\n0.446418 0.862182 0.379043 H\n0.539451 0.500719 0.676289 C\n0.746290 0.363047 0.417764 C\n0.385915 0.271249 0.706751 C\n0.266680 0.223913 0.135156 C\n0.746302 0.363049 0.518581 C\n0.266784 0.223912 0.801152 C\n0.385814 0.271250 0.229569 C\n0.626175 0.537706 0.364631 C\n0.303359 0.402132 0.065000 C\n0.469255 0.630693 0.093219 C\n0.303371 0.402140 0.871323 C\n0.539429 0.500714 0.260061 C\n0.546729 0.725863 0.417342 C\n0.578038 0.678695 0.746358 C\n0.146258 0.317516 0.968151 C\n0.546735 0.725862 0.519035 C\n0.469178 0.630710 0.843136 C\n0.578106 0.678682 0.190009 C\n0.626189 0.537709 0.571728 C\n0.882569 0.146320 0.968129 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4496591915989483,
"density_atomic": 0.10899877349143175,
"volume": 293.5812851372633,
"volume_molar": 5.524961948744674,
"formula_full": "H12 C19 O1",
"formula_reduced": "H12C19O",
"formula_anonymous": "AB12C19",
"energy_above_hull": 5.958981359375,
"spacegroup": 6
},
{
"id": "jvasp-112064",
"created_at": "2022-09-04T14:38:43.588422Z",
"updated_at": "2022-09-04T14:38:43.588433Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.496240 -0.200018 -1.138609\n-2.550008 6.994079 -1.400807\n-0.263689 0.476400 9.790473\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.196207 0.312812 0.902877 Al\n0.406441 0.728737 0.533225 H\n0.794590 0.499479 0.443904 H\n0.448214 0.403007 0.494956 H\n0.721191 0.653748 0.732193 H\n0.084099 0.729585 0.687969 H\n0.573598 0.192320 0.263573 H\n0.795984 0.054451 0.226325 H\n0.351664 0.626502 0.351268 H\n0.922437 0.178277 0.491910 H\n-0.005698 0.921982 0.570000 H\n0.917271 0.835181 0.383158 H\n0.395950 0.830372 0.976419 H\n0.980363 0.737384 0.960546 H\n0.296935 0.752510 0.199095 H\n0.085117 -0.093308 0.206633 H\n0.521674 0.050854 0.479556 H\n0.209304 0.861777 0.012128 C\n0.288080 0.889050 0.177600 C\n0.804627 0.873129 0.462056 C\n0.710434 0.046368 0.432107 C\n0.602381 0.054493 0.270907 C\n0.655168 0.534957 0.510365 C\n0.533247 0.690455 0.460734 C\n0.971038 0.467052 0.745686 C\n0.162403 0.027458 0.956904 C\n0.863575 0.606928 0.673360 C\n0.572502 0.520795 0.088307 Cl\n0.835723 0.381496 0.831184 O\n0.021363 0.127368 0.007777 O\n0.274492 0.088297 0.855991 O\n0.224366 0.433918 0.740947 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.4295981573697616,
"density_atomic": 0.10488435330690123,
"volume": 305.0979387398716,
"volume_molar": 5.7416960396167624,
"formula_full": "Al1 H16 C10 Cl1 O4",
"formula_reduced": "AlH16C10ClO4",
"formula_anonymous": "ABC4D10E16",
"energy_above_hull": 4.534092527109375,
"spacegroup": 1
}
]
}