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{
"id": "jvasp-101902",
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"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",
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"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",
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{
"id": "jvasp-101927",
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"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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{
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"created_at": "2022-09-04T14:36:45.364039Z",
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"structure_string": "Zn1 H8 C6 O4\n1.0\n3.956991 -0.042765 -0.233880\n-1.868331 4.535635 -0.268097\n-0.126911 0.024906 9.244768\nZn H C O\n1 8 6 4\ndirect\n0.431675 0.214595 0.785033 Zn\n0.657164 0.542204 0.469729 H\n0.268694 0.567133 0.542323 H\n0.691060 0.986197 0.321003 H\n0.411299 0.462281 0.211251 H\n0.410093 0.925273 0.076652 H\n0.929092 0.781505 0.094758 H\n0.267068 0.954462 0.380920 H\n0.978202 0.428006 0.262595 H\n0.106432 0.502328 0.962513 C\n0.170184 0.724082 0.090743 C\n0.239910 0.588748 0.231859 C\n0.765891 0.930309 0.610479 C\n0.524059 0.695394 0.494133 C\n0.434046 0.826723 0.356539 C\n0.816433 0.262653 0.950512 O\n0.002082 0.872460 0.691125 O\n0.729405 0.178363 0.623018 O\n0.360640 0.556791 0.876902 O\n",
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{
"id": "jvasp-112030",
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"structure_string": "Zn1 H8 C6 O4\n1.0\n4.057300 0.235281 0.158963\n1.441686 4.134755 0.902341\n0.308391 0.207759 10.236466\nZn H C O\n1 8 6 4\ndirect\n0.812364 0.031039 0.223845 Zn\n0.468331 0.620007 0.528730 H\n-0.001392 0.745477 0.518969 H\n0.516257 0.035910 0.641526 H\n0.504948 0.433326 0.780247 H\n0.528036 0.845794 0.885763 H\n0.066898 0.014725 0.908935 H\n0.047459 0.176837 0.643423 H\n0.036583 0.577356 0.785660 H\n0.394958 0.118149 0.032300 C\n0.305316 0.074601 0.899222 C\n0.277922 0.357810 0.778502 C\n0.299086 0.412345 0.393417 C\n0.251205 0.533169 0.522929 C\n0.272874 0.254866 0.646363 C\n0.603367 0.269490 0.035332 O\n0.059996 0.536534 0.301663 O\n0.595955 0.172070 0.386113 O\n0.307531 0.966804 0.143239 O\n",
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{
"id": "jvasp-112014",
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"structure_string": "Zn1 H6 C5 O4\n1.0\n4.400509 0.021239 0.531141\n2.052486 4.374434 0.467124\n0.127107 0.108510 7.429993\nZn H C O\n1 6 5 4\ndirect\n0.024048 -0.001278 0.258615 Zn\n0.576095 0.283490 0.577711 H\n0.872132 0.262060 0.718364 H\n0.208417 0.820083 0.650335 H\n0.007398 0.730738 0.953392 H\n0.510631 0.833761 0.776406 H\n0.231820 0.350889 0.879423 H\n0.872753 0.522237 0.470165 C\n0.682623 0.422420 0.629134 C\n0.409647 0.680957 0.737163 C\n0.257012 0.555887 0.909217 C\n0.485491 0.471677 0.059647 C\n0.082780 0.325537 0.361162 O\n0.825267 0.802370 0.456284 O\n0.454192 0.671815 0.166970 O\n0.723003 0.199892 0.063968 O\n",
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{
"id": "jvasp-112086",
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"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",
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{
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"structure_string": "Zn1 H2 C3 O4\n1.0\n4.431990 -0.361678 1.841441\n2.182701 4.167497 -0.057615\n0.177126 -0.262143 5.810729\nZn H C O\n1 2 3 4\ndirect\n0.178622 0.751172 0.602752 Zn\n0.376347 0.497211 0.019623 H\n0.296552 0.211793 0.197742 H\n0.864378 0.632112 0.303217 C\n0.200039 0.388496 0.099801 C\n0.156777 0.235162 0.891204 C\n0.606046 0.631325 0.290210 O\n0.844412 0.818293 0.478853 O\n0.119495 0.980225 0.916877 O\n0.155468 0.352779 0.698685 O\n",
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{
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"structure_string": "Zn1 H10 C7 O4\n1.0\n4.394879 -0.028929 -0.031519\n-2.071913 4.394709 -0.422681\n0.069396 0.019199 9.579146\nZn H C O\n1 10 7 4\ndirect\n0.643178 0.281117 0.173590 Zn\n0.937388 0.499942 0.490298 H\n0.607772 0.429015 0.714528 H\n0.938965 0.393395 0.802976 H\n0.334814 0.928189 0.748035 H\n-0.002189 0.953751 0.659978 H\n0.529627 0.549543 0.951804 H\n0.741502 0.915521 0.888977 H\n0.279052 0.017220 0.420094 H\n0.625806 0.055221 0.523090 H\n0.289846 0.494242 0.575579 H\n0.548559 0.771489 0.335955 C\n0.405254 0.885595 0.459522 C\n0.173533 0.644564 0.550513 C\n0.098371 0.791293 0.686034 C\n0.845896 0.560106 0.775886 C\n0.767418 0.709596 0.911612 C\n0.046801 0.797450 0.022365 C\n0.284868 0.067378 0.025696 O\n0.727801 0.958345 0.250513 O\n0.497944 0.492427 0.326270 O\n0.049375 0.600660 0.101681 O\n",
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},
{
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"created_at": "2022-09-04T14:38:42.918034Z",
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"structure_string": "Zn1 H14 C9 O4\n1.0\n4.125313 0.042299 0.260719\n1.888657 4.067729 0.195091\n0.284870 -0.314721 13.852208\nZn H C O\n1 14 9 4\ndirect\n0.030176 0.025371 0.173616 Zn\n0.717681 0.302740 0.580969 H\n0.212070 0.769776 0.860718 H\n0.904942 0.594265 0.861954 H\n0.233572 0.791455 0.672870 H\n0.937080 0.604934 0.671216 H\n0.414866 0.125134 0.576196 H\n0.310469 0.794947 0.488061 H\n0.660237 0.245087 0.937841 H\n0.343152 0.084023 0.944351 H\n0.668503 0.294407 0.760062 H\n0.365649 0.114922 0.760805 H\n0.810146 0.268792 0.405002 H\n0.478849 0.140013 0.385098 H\n0.010106 0.616287 0.480197 H\n0.238546 0.465824 0.044563 C\n0.367541 0.318301 0.943898 C\n0.194513 0.532573 0.857888 C\n0.379017 0.355057 0.762268 C\n0.296075 0.555934 0.485361 C\n0.429347 0.364620 0.578398 C\n0.521794 0.362553 0.395770 C\n0.447870 0.552810 0.301836 C\n0.224422 0.549597 0.671332 C\n0.082303 0.780964 0.053138 O\n0.673076 0.465214 0.228398 O\n0.148695 0.811729 0.300024 O\n0.310685 0.267222 0.115604 O\n",
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{
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"updated_at": "2022-09-04T14:35:59.861457Z",
"structure_string": "Zn2 H16 C8 O16\n1.0\n4.354798 6.734920 -0.699570\n-4.354798 6.734920 0.699570\n0.022317 0.000000 6.599075\nZn H C O\n2 16 8 16\ndirect\n0.500000 -0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.488115 0.759853 0.253876 H\n0.759853 0.488114 0.246124 H\n0.511886 0.240146 0.746123 H\n0.240147 0.511885 0.753876 H\n0.712004 0.417062 0.045557 H\n0.417062 0.712004 0.454443 H\n0.287996 0.582938 0.954442 H\n0.582939 0.287996 0.545557 H\n0.151136 0.350991 0.389769 H\n0.649009 0.848864 0.889769 H\n0.848864 0.649008 0.610230 H\n0.553375 0.145053 0.122383 H\n0.145053 0.553375 0.377617 H\n0.446625 0.854947 0.877616 H\n0.854947 0.446624 0.622382 H\n0.350991 0.151136 0.110231 H\n0.132617 0.900872 0.003336 C\n0.867383 0.099128 0.996663 C\n0.099128 0.867382 0.503336 C\n0.900872 0.132617 0.496663 C\n0.900352 0.949046 0.504425 C\n0.050954 0.099648 0.004425 C\n0.099648 0.050954 0.495574 C\n0.949047 0.900351 0.995574 C\n0.216660 0.705603 0.505924 O\n0.294397 0.783340 0.005924 O\n0.783340 0.294397 0.494076 O\n0.880487 0.784382 0.989654 O\n0.784383 0.880486 0.510345 O\n0.119514 0.215618 0.010345 O\n0.215618 0.119513 0.489654 O\n0.514057 0.746751 0.403884 O\n0.253249 0.485943 0.903884 O\n0.485943 0.253248 0.596115 O\n0.098985 0.473371 0.307558 O\n0.473372 0.098985 0.192442 O\n0.901015 0.526628 0.692442 O\n0.526629 0.901015 0.807557 O\n0.746752 0.514057 0.096116 O\n0.705603 0.216660 0.994075 O\n",
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"formula_full": "Zn2 H16 C8 O16",
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},
{
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"created_at": "2022-09-04T14:37:11.830682Z",
"updated_at": "2022-09-04T14:37:11.830706Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n4.128380 -0.167011 -0.413419\n-1.313663 4.258081 -0.196652\n0.134124 -0.130247 13.161716\nZn H C O\n1 14 9 4\ndirect\n0.386660 0.916156 0.172842 Zn\n0.090079 0.241708 0.606726 H\n0.892912 0.690996 0.898585 H\n0.472576 0.621802 0.840979 H\n0.072784 0.733097 0.704707 H\n0.636869 0.641381 0.658604 H\n0.647710 0.128535 0.567112 H\n0.190343 0.728956 0.507739 H\n0.711486 0.160748 0.970143 H\n0.299737 0.065520 0.906556 H\n0.926685 0.221500 0.790942 H\n0.495290 0.126055 0.740930 H\n0.216189 0.240383 0.414703 H\n0.763289 0.083064 0.390761 H\n0.744793 0.616806 0.471766 H\n0.409111 0.396911 0.036753 C\n0.520121 0.268029 0.942212 C\n0.658363 0.502403 0.863601 C\n0.728940 0.328650 0.768902 C\n0.953664 0.521486 0.491768 C\n0.881878 0.338248 0.586649 C\n0.982955 0.305131 0.400422 C\n-0.002586 0.457728 0.300434 C\n0.834033 0.532931 0.680105 C\n0.514892 0.698528 0.057802 O\n0.779668 0.327944 0.224264 O\n0.239630 0.726815 0.297943 O\n0.212630 0.203252 0.090622 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.8281446972443591,
"density_atomic": 0.12251368290278207,
"volume": 228.54590064212468,
"volume_molar": 4.915484227813748,
"formula_full": "Zn1 H14 C9 O4",
"formula_reduced": "ZnH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.493741228571429,
"spacegroup": 1
}
]
}