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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=84",
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"results": [
{
"id": "jvasp-112216",
"created_at": "2022-09-04T14:38:43.801135Z",
"updated_at": "2022-09-04T14:38:43.801163Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.895679 -0.029548 -0.468594\n-0.485041 4.629219 -0.501600\n-0.096905 -0.371969 17.442470\nCd H C O\n1 20 12 4\ndirect\n0.234795 0.276480 0.141151 Cd\n0.066053 0.731214 0.457523 H\n0.046023 0.124211 0.363051 H\n0.779170 0.640235 0.997571 H\n0.067975 0.958685 0.870678 H\n0.942168 0.526485 0.787963 H\n0.620185 0.403872 0.643096 H\n0.222360 0.464091 0.675578 H\n0.325065 0.258955 0.501067 H\n0.927772 0.331377 0.532016 H\n0.687082 0.134350 0.031778 H\n0.640833 0.185166 0.388153 H\n0.398207 0.346469 0.889868 H\n0.176820 0.058234 0.977571 H\n0.679603 0.008278 0.727542 H\n0.289199 0.075985 0.762751 H\n0.382364 0.883842 0.591407 H\n-0.017349 0.948560 0.621945 H\n0.835091 0.634886 0.295167 H\n0.245992 0.694042 0.370279 H\n0.670500 0.823588 0.481881 H\n0.031993 0.909925 0.928664 C\n0.817353 0.681150 0.938624 C\n0.624463 0.470474 0.875137 C\n0.709212 0.410087 0.802997 C\n0.513913 0.181313 0.740853 C\n0.394546 0.295458 0.664233 C\n0.815063 0.015616 0.381845 C\n0.096799 0.158432 0.523024 C\n0.907043 0.913462 0.461286 C\n0.646209 0.773924 0.315946 C\n0.494048 0.903049 0.244108 C\n0.210251 0.054255 0.600871 C\n0.394584 0.577688 0.341877 O\n0.251753 0.758178 0.194031 O\n0.614829 0.159009 0.237800 O\n0.714682 0.270226 0.080013 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.8058354809960422,
"density_atomic": 0.11810384278573133,
"volume": 313.28362504789,
"volume_molar": 5.09902185903096,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.597593344594595,
"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-29231",
"created_at": "2022-09-04T14:35:53.369767Z",
"updated_at": "2022-09-04T14:35:53.369779Z",
"structure_string": "Mg3 P2 H16 O16\n1.0\n4.609940 -0.002900 -0.730138\n-1.682606 7.781641 -2.239064\n-0.023015 0.093756 8.269776\nMg P H O\n3 2 16 16\ndirect\n0.000000 0.387080 0.612921 Mg\n-0.000000 0.612920 0.387080 Mg\n0.000000 0.000000 0.000000 Mg\n0.385028 0.314240 0.314240 P\n0.614972 0.685761 0.685761 P\n0.489700 0.827853 0.429947 H\n0.489700 0.429947 0.827854 H\n0.636247 0.207887 0.043465 H\n0.363753 0.956536 0.792114 H\n0.363753 0.792113 0.956536 H\n0.718139 0.178465 0.749141 H\n0.959712 0.318315 0.061259 H\n0.040288 0.938741 0.681685 H\n0.040288 0.681685 0.938742 H\n0.959712 0.061259 0.318315 H\n0.510300 0.570053 0.172147 H\n0.281862 0.250860 0.821536 H\n0.281861 0.821535 0.250860 H\n0.510301 0.172147 0.570054 H\n0.718138 0.749141 0.178465 H\n0.636248 0.043465 0.207887 H\n0.190710 0.015094 0.785547 O\n0.190708 0.785546 0.015094 O\n0.621138 0.842814 0.842814 O\n0.378862 0.157187 0.157187 O\n0.285923 0.602255 0.602255 O\n0.226919 0.441560 0.244283 O\n0.773082 0.558440 0.755718 O\n0.226919 0.244283 0.441561 O\n0.773081 0.755718 0.558440 O\n0.809292 0.214454 0.984907 O\n0.715856 0.174555 0.628215 O\n0.284145 0.371786 0.825446 O\n0.715855 0.628214 0.174555 O\n0.809291 0.984906 0.214454 O\n0.714077 0.397746 0.397746 O\n0.284144 0.825445 0.371786 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Mg",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-O-P",
"density": 2.271063841663339,
"density_atomic": 0.12433944953719286,
"volume": 297.5724931847348,
"volume_molar": 4.843306595304361,
"formula_full": "Mg3 P2 H16 O16",
"formula_reduced": "Mg3P2(HO)16",
"formula_anonymous": "A2B3C16D16",
"energy_above_hull": 2.864389301351351,
"spacegroup": 12
},
{
"id": "jvasp-101966",
"created_at": "2022-09-04T14:37:00.103965Z",
"updated_at": "2022-09-04T14:37:00.103980Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.795651 0.153081 0.216247\n1.251092 4.397336 0.208573\n0.412355 0.080386 17.439716\nCd H C O\n1 20 12 4\ndirect\n0.772725 0.948129 0.851185 Cd\n0.330312 0.186147 0.509887 H\n0.087126 0.658970 0.589688 H\n0.436286 0.758831 0.052427 H\n0.766322 0.764529 0.164726 H\n0.216695 0.710420 0.192479 H\n0.543837 0.731957 0.305740 H\n-0.004059 0.674905 0.333073 H\n0.317788 0.699856 0.447404 H\n0.769824 0.643510 0.474813 H\n-0.011536 0.817019 0.025741 H\n0.537218 0.607212 0.617728 H\n0.008774 0.289388 0.084793 H\n0.459103 0.237474 0.112707 H\n0.776882 0.253358 0.227710 H\n0.229076 0.196893 0.255038 H\n0.551403 0.221825 0.369381 H\n0.003375 0.164988 0.396763 H\n0.110000 0.137468 0.649871 H\n0.557626 0.079398 0.676662 H\n0.780454 0.132274 0.537745 H\n0.412727 0.489084 0.960492 C\n0.248535 0.634364 0.036572 C\n0.192939 0.413934 0.102086 C\n0.030777 0.585439 0.176054 C\n0.965362 0.376654 0.243647 C\n0.807049 0.551735 0.317260 C\n0.353300 0.482599 0.600347 C\n0.581506 0.520154 0.458826 C\n0.515963 0.311251 0.526381 C\n0.297547 0.261993 0.665805 C\n0.132920 0.407080 0.741883 C\n0.740124 0.345116 0.385220 C\n0.367819 0.663216 0.899046 O\n0.177734 0.232813 0.803306 O\n0.949798 0.691623 0.741629 O\n0.595630 0.204484 0.960761 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.969011810484272,
"density_atomic": 0.12877577373793572,
"volume": 287.3211235779224,
"volume_molar": 4.676454728398928,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595542533783784,
"spacegroup": 2
},
{
"id": "jvasp-101968",
"created_at": "2022-09-04T14:36:59.181650Z",
"updated_at": "2022-09-04T14:36:59.181676Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.776491 0.025053 0.424300\n1.946874 4.207925 1.376745\n1.263730 0.386175 18.594038\nCd H C O\n1 20 12 4\ndirect\n0.578322 0.791255 0.155972 Cd\n0.095619 0.217191 0.493157 H\n0.351565 0.816253 0.416611 H\n0.185601 0.100647 0.971102 H\n0.678286 0.329160 0.840144 H\n0.157408 0.309541 0.821425 H\n0.608167 0.478004 0.700637 H\n0.060793 0.509307 0.674478 H\n0.494214 0.639703 0.558499 H\n-0.073055 0.703590 0.531750 H\n0.693100 0.176271 0.978156 H\n0.773796 0.894358 0.389781 H\n0.520314 0.761837 0.906518 H\n0.019340 0.688497 0.896340 H\n0.408227 0.911311 0.767999 H\n-0.115636 0.899113 0.748293 H\n0.252920 0.054453 0.631247 H\n0.697548 0.099943 0.606863 H\n0.929096 0.388917 0.352121 H\n0.329982 0.489526 0.331087 H\n0.523967 0.287039 0.467365 H\n0.849057 0.367517 0.048124 C\n0.891862 0.292755 0.973419 C\n0.815772 0.575747 0.901701 C\n0.851472 0.472199 0.830438 C\n0.715513 0.752517 0.758500 C\n0.749886 0.646081 0.687840 C\n0.460541 0.003588 0.405845 C\n0.613117 0.822393 0.546516 C\n0.410098 0.101782 0.478410 C\n0.247908 0.288964 0.339810 C\n0.307421 0.217824 0.264053 C\n0.566758 0.925313 0.618213 C\n0.732620 0.657918 0.047146 O\n0.223316 0.454100 0.202934 O\n0.433085 0.927282 0.264324 O\n0.930481 0.132717 0.109544 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.946306579781911,
"density_atomic": 0.12729082395956148,
"volume": 290.67295543435546,
"volume_molar": 4.731009331759178,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.5955698310810815,
"spacegroup": 1
},
{
"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-29340",
"created_at": "2022-09-04T14:37:05.490295Z",
"updated_at": "2022-09-04T14:37:05.490312Z",
"structure_string": "Zn3 As2 H16 O16\n1.0\n4.589908 -0.980596 -1.472747\n-2.960169 9.073259 -0.933250\n-1.292261 1.353176 9.405137\nZn As H O\n3 2 16 16\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.622666 0.377334 Zn\n0.000000 0.377334 0.622666 Zn\n0.749517 0.688696 0.688696 As\n0.250484 0.311304 0.311304 As\n0.399614 0.794960 -0.006640 H\n0.600386 0.006639 0.205039 H\n0.988339 0.490455 0.183208 H\n0.011662 0.816792 0.509545 H\n0.011662 0.509545 0.816792 H\n0.988339 0.183208 0.490455 H\n0.466074 0.891048 0.505277 H\n0.399614 -0.006639 0.794961 H\n0.466074 0.505277 0.891048 H\n0.533926 0.108953 0.494723 H\n0.678037 0.720769 0.079524 H\n0.321963 0.920475 0.279230 H\n0.533926 0.494723 0.108952 H\n0.600386 0.205039 0.006639 H\n0.678037 0.079525 0.720770 H\n0.321964 0.279231 0.920476 H\n0.228445 0.855787 0.424288 O\n0.020824 0.839477 0.839477 O\n0.979177 0.160523 0.160523 O\n0.309811 0.610450 0.610450 O\n0.690189 0.389550 0.389550 O\n0.784953 0.516692 0.743074 O\n0.215047 0.256926 0.483308 O\n0.215047 0.483308 0.256926 O\n0.784953 0.743074 0.516692 O\n0.360245 0.958994 0.185051 O\n0.639756 0.814949 0.041005 O\n0.639756 0.041006 0.814950 O\n0.360246 0.185051 0.958995 O\n0.228445 0.424289 0.855787 O\n0.771555 0.575712 0.144213 O\n0.771556 0.144213 0.575712 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Zn",
"As",
"H",
"O"
],
"chemical_system": "As-H-O-Zn",
"density": 2.8703909089013853,
"density_atomic": 0.10346020983811295,
"volume": 357.62541036689294,
"volume_molar": 5.820731244816737,
"formula_full": "Zn3 As2 H16 O16",
"formula_reduced": "Zn3As2(HO)16",
"formula_anonymous": "A2B3C16D16",
"energy_above_hull": 2.7580462351351347,
"spacegroup": 12
},
{
"id": "jvasp-112140",
"created_at": "2022-09-04T14:38:45.117419Z",
"updated_at": "2022-09-04T14:38:45.117445Z",
"structure_string": "Zn1 H20 C12 O4\n1.0\n3.983200 -0.246057 -0.122974\n-1.628679 4.459806 0.303924\n0.365134 1.535071 16.730411\nZn H C O\n1 20 12 4\ndirect\n0.750278 0.952725 0.153803 Zn\n0.172287 0.396382 0.470728 H\n0.042673 0.056819 0.360902 H\n0.259272 0.215904 0.968504 H\n0.137166 0.473058 0.800222 H\n0.507693 0.371868 0.826937 H\n0.415389 0.635224 0.649395 H\n-0.218449 0.534965 0.680854 H\n0.717872 0.841509 0.503423 H\n0.075385 0.729527 0.534438 H\n-0.081297 0.361042 0.963489 H\n0.397253 -0.054620 0.394216 H\n0.344620 0.873463 0.894636 H\n0.725268 0.785494 0.916995 H\n0.577991 0.016669 0.747800 H\n-0.051921 -0.078089 0.778134 H\n0.865647 0.192073 0.609418 H\n0.226088 0.084224 0.639743 H\n0.493034 0.613155 0.327499 H\n0.843558 0.513015 0.367929 H\n0.527923 0.284014 0.502174 H\n0.309820 0.518701 0.052564 C\n0.215349 0.429790 0.969200 C\n0.437043 0.682229 0.900814 C\n0.420749 0.566628 0.819850 C\n0.669608 0.824898 0.755673 C\n0.690088 0.727258 0.673647 C\n0.306660 0.136887 0.389953 C\n-0.012301 -0.076761 0.530172 C\n0.259862 0.202522 0.474595 C\n0.583408 0.421852 0.337273 C\n0.685036 0.367489 0.255967 C\n-0.046705 -0.002026 0.614347 C\n0.213932 0.308859 0.113673 O\n0.859625 0.595984 0.202348 O\n0.603484 0.084829 0.247125 O\n0.498762 0.806418 0.056915 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.6868001186376123,
"density_atomic": 0.12797391937502292,
"volume": 289.1214098989408,
"volume_molar": 4.705756289570483,
"formula_full": "Zn1 H20 C12 O4",
"formula_reduced": "ZnH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.606612551351351,
"spacegroup": 1
},
{
"id": "jvasp-97595",
"created_at": "2022-09-04T14:36:10.660422Z",
"updated_at": "2022-09-04T14:36:10.660439Z",
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"density_atomic": 0.084657700695676,
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"formula_full": "Mg3 V6 Fe4 O24",
"formula_reduced": "Mg3V6(FeO6)4",
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},
{
"id": "jvasp-101927",
"created_at": "2022-09-04T14:36:54.264575Z",
"updated_at": "2022-09-04T14:36:54.264596Z",
"structure_string": "Zn1 H20 C12 O4\n1.0\n3.902886 -0.069655 0.102818\n2.059086 4.228750 0.913827\n-0.661749 0.085229 17.312259\nZn H C O\n1 20 12 4\ndirect\n0.725506 0.084406 0.846454 Zn\n0.153416 0.628489 0.539317 H\n0.015549 0.006910 0.632318 H\n0.274896 0.789047 0.029135 H\n0.142885 0.507365 0.189940 H\n0.517107 0.615739 0.170751 H\n0.406372 0.355710 0.339962 H\n0.784453 0.451448 0.313810 H\n0.695282 0.188432 0.486466 H\n0.073698 0.279959 0.457723 H\n0.930256 0.645734 0.032807 H\n0.397430 0.088530 0.600550 H\n0.395593 0.113097 0.101181 H\n0.774088 0.215710 0.084896 H\n0.605724 0.960589 0.251585 H\n-0.013027 0.052993 0.226832 H\n0.869355 0.799648 0.396591 H\n0.248200 0.890453 0.368440 H\n0.457136 0.439413 0.681569 H\n0.836267 0.504407 0.644517 H\n0.532341 0.713805 0.508330 H\n0.321511 0.500241 0.947365 C\n0.235620 0.574783 0.028498 C\n0.474835 0.310122 0.097126 C\n0.440223 0.416445 0.176037 C\n0.694623 0.153547 0.243618 C\n0.696524 0.257867 0.322039 C\n0.292993 0.905458 0.609164 C\n-0.019168 0.089250 0.466412 C\n0.250826 0.816595 0.530112 C\n0.564618 0.619745 0.669201 C\n0.670738 0.675524 0.747593 C\n-0.039143 0.991182 0.387723 C\n0.221045 0.723788 0.887705 O\n0.852713 0.440347 0.802809 O\n0.586543 0.959195 0.753312 O\n0.505796 0.211116 0.943197 O\n",
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"elements": [
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],
"chemical_system": "C-H-O-Zn",
"density": 1.6918750904441513,
"density_atomic": 0.12835894663795974,
"volume": 288.25415733863576,
"volume_molar": 4.691640838239058,
"formula_full": "Zn1 H20 C12 O4",
"formula_reduced": "ZnH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.606565254054054,
"spacegroup": 1
},
{
"id": "jvasp-104015",
"created_at": "2022-09-04T14:36:54.250589Z",
"updated_at": "2022-09-04T14:36:54.250613Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n3.838345 -0.200944 -0.361401\n-0.396977 4.922657 -0.378883\n0.398266 0.881922 15.875281\nH Pb C O\n20 1 12 4\ndirect\n0.495643 0.562487 0.402388 H\n0.891783 0.306019 0.487460 H\n0.160343 0.307341 0.929779 H\n0.580050 0.286963 0.978262 H\n0.377820 0.420868 0.781001 H\n0.815174 0.391778 0.815746 H\n0.595615 0.585239 0.633460 H\n0.037141 0.574712 0.668492 H\n0.797969 0.794982 0.492739 H\n0.241193 0.795116 0.527707 H\n-0.015361 0.046322 0.354543 H\n0.428161 0.041227 0.389054 H\n0.377331 0.800843 0.891527 H\n0.799209 0.749811 0.929371 H\n0.541034 0.915264 0.754094 H\n0.976986 0.893992 0.790031 H\n0.716580 0.091836 0.619142 H\n0.156626 0.084777 0.654706 H\n0.073417 0.556218 0.355286 H\n0.334045 0.306109 0.521991 H\n0.008817 0.935783 0.161144 Pb\n0.295231 0.566344 0.039167 C\n0.396355 0.431511 0.959194 C\n0.553125 0.642594 0.899115 C\n0.619433 0.535956 0.811368 C\n0.742886 0.775745 0.757126 C\n0.825940 0.705421 0.667239 C\n0.206767 0.159247 0.393279 C\n0.021383 0.916957 0.528489 C\n0.112659 0.185449 0.484859 C\n0.299690 0.440983 0.358235 C\n0.456372 0.459761 0.272931 C\n0.930753 -0.036227 0.619306 C\n0.072650 0.442373 0.084620 O\n0.507939 0.700215 0.244611 O\n0.536795 0.249096 0.236197 O\n0.430496 0.815528 0.056695 O\n",
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],
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"density_atomic": 0.12298785085666059,
"volume": 300.84272342576844,
"volume_molar": 4.8965330461938565,
"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
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},
{
"id": "jvasp-112205",
"created_at": "2022-09-04T14:38:46.050349Z",
"updated_at": "2022-09-04T14:38:46.050377Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n3.824011 -0.115639 0.035684\n-0.175957 5.127809 -0.396243\n0.154558 0.054137 15.867750\nH Pb C O\n20 1 12 4\ndirect\n0.867091 0.578983 0.400962 H\n0.399943 0.293101 0.498145 H\n0.486597 0.173797 0.884434 H\n0.908171 0.452161 0.002262 H\n0.851537 0.422243 0.767353 H\n0.279497 0.311614 0.760184 H\n0.110936 0.609803 0.627704 H\n0.549933 0.563117 0.649381 H\n0.365061 0.804645 0.493850 H\n0.805028 0.811112 0.524750 H\n0.561093 0.018039 0.360650 H\n0.003874 0.092854 0.385626 H\n0.381742 0.307209 0.984888 H\n0.940582 0.930554 0.001434 H\n0.071527 0.876415 0.771170 H\n0.503245 0.798667 0.790491 H\n0.235714 0.088288 0.628555 H\n0.669881 0.060444 0.660140 H\n0.439508 0.482498 0.366098 H\n0.843343 0.303752 0.525731 H\n0.408572 0.819925 0.123617 Pb\n0.465202 0.363405 0.921864 C\n0.848864 0.462992 0.935567 C\n0.134454 0.460822 0.883857 C\n0.121605 0.466506 0.789458 C\n0.263046 0.728017 0.756323 C\n0.342942 0.701149 0.661203 C\n0.738826 0.161017 0.395661 C\n0.569404 0.923664 0.530001 C\n0.638364 0.183678 0.489975 C\n0.714580 0.430663 0.361164 C\n0.825806 0.481978 0.272273 C\n0.454380 0.958464 0.622936 C\n0.944226 0.009067 0.059711 O\n0.031264 0.669807 0.256460 O\n0.408187 0.144966 0.228663 O\n0.674997 0.348469 0.205414 O\n",
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"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
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}
]
}