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{
"id": "jvasp-112013",
"created_at": "2022-09-04T14:38:41.016630Z",
"updated_at": "2022-09-04T14:38:41.016653Z",
"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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"created_at": "2022-09-04T14:36:44.244400Z",
"updated_at": "2022-09-04T14:36:44.244435Z",
"structure_string": "Zn1 H12 C8 O4\n1.0\n3.853920 -0.142091 -0.218260\n-1.699537 4.401783 0.151843\n0.373838 0.213919 12.141012\nZn H C O\n1 12 8 4\ndirect\n0.121654 0.099280 0.830724 Zn\n0.399121 0.442282 0.499909 H\n0.627706 0.325935 0.112396 H\n0.182868 0.290270 0.064787 H\n0.502161 0.398338 0.304386 H\n0.037709 0.340736 0.265231 H\n0.594036 0.921417 0.377628 H\n0.922703 0.366104 0.472391 H\n0.754964 0.867061 0.178140 H\n0.291544 0.812670 0.137067 H\n0.468378 0.973221 0.575022 H\n-0.021771 0.845375 0.565078 H\n0.116760 0.842450 0.346473 H\n0.642667 0.595677 0.970292 C\n0.469419 0.463201 0.080683 C\n0.467650 0.689394 0.166829 C\n0.323240 0.522288 0.277120 C\n0.203607 0.555756 0.479672 C\n0.207247 0.761438 0.574148 C\n0.178761 0.611514 0.688082 C\n0.313140 0.731093 0.369080 C\n0.599094 0.413175 0.891997 O\n0.278990 0.781079 0.771347 O\n0.065404 0.317439 0.694706 O\n0.840377 0.885733 0.962260 O\n",
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"formula_full": "Zn1 H12 C8 O4",
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"formula_anonymous": "AB4C8D12",
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{
"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",
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{
"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",
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"formula_full": "Zn1 H16 C10 O4",
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{
"id": "jvasp-103914",
"created_at": "2022-09-04T14:36:39.940491Z",
"updated_at": "2022-09-04T14:36:39.940507Z",
"structure_string": "Zn1 H8 C6 O4\n1.0\n3.589873 0.089541 -0.091210\n1.465503 4.300707 0.081731\n0.313855 0.098992 9.794848\nZn H C O\n1 8 6 4\ndirect\n0.007379 0.776940 0.202439 Zn\n0.814945 0.547226 0.547970 H\n0.318347 0.629683 0.509670 H\n0.874401 0.014198 0.648525 H\n0.644204 0.476864 0.802485 H\n0.708602 0.925035 0.895583 H\n0.212487 0.006543 0.856861 H\n0.382337 0.077644 0.602745 H\n0.152139 0.540235 0.756661 H\n0.310029 0.250850 0.023631 C\n0.425772 0.120428 0.883297 C\n0.444457 0.355767 0.770516 C\n0.714831 0.303183 0.381423 C\n0.600874 0.433891 0.521810 C\n0.582136 0.198737 0.634673 C\n0.137099 0.546426 0.030889 O\n0.637656 0.495654 0.277747 O\n0.886563 0.007482 0.374143 O\n0.386071 0.058230 0.127252 O\n",
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},
{
"id": "jvasp-103911",
"created_at": "2022-09-04T14:37:02.426607Z",
"updated_at": "2022-09-04T14:37:02.426629Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.203639 0.222464 0.282306\n1.331856 4.206727 0.407243\n0.337049 0.186010 8.398806\nZn H C O\n1 6 5 4\ndirect\n0.168105 0.866499 0.276827 Zn\n0.863541 0.553042 0.648528 H\n0.431770 0.740554 0.604141 H\n0.739811 0.093174 0.809537 H\n0.605154 0.596110 0.950314 H\n0.324935 0.230392 0.744329 H\n0.207035 0.762430 0.871649 H\n0.706881 0.331206 0.475865 C\n0.634143 0.505639 0.626171 C\n0.526779 0.312735 0.774243 C\n0.398528 0.530315 0.911878 C\n0.246273 0.392996 0.062210 C\n0.523004 0.441928 0.358196 O\n0.960784 0.061390 0.474851 O\n0.344037 0.085023 0.089874 O\n0.026892 0.585196 0.153796 O\n",
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{
"id": "jvasp-103912",
"created_at": "2022-09-04T14:36:57.409405Z",
"updated_at": "2022-09-04T14:36:57.409427Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.280764 -0.123613 1.291945\n1.916527 4.427707 0.703533\n0.275042 -0.286408 7.687239\nZn H C O\n1 6 5 4\ndirect\n0.273351 0.056650 0.268616 Zn\n0.350215 0.627632 0.664533 H\n0.088348 0.616856 0.537173 H\n0.227301 0.182075 0.852054 H\n0.889983 0.701619 0.971430 H\n0.946439 0.217116 0.725901 H\n0.629500 0.764225 0.832172 H\n0.562049 0.257211 0.483031 C\n0.260247 0.479514 0.617199 C\n0.058506 0.340765 0.777717 C\n0.780291 0.587969 0.908974 C\n0.529099 0.492666 0.062053 C\n0.830601 0.318438 0.419192 O\n0.544211 0.022401 0.437427 O\n0.531320 0.231762 0.054126 O\n0.315453 0.671214 0.193691 O\n",
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{
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"created_at": "2022-09-04T14:36:59.404452Z",
"updated_at": "2022-09-04T14:36:59.404462Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n3.843174 0.252421 0.097928\n1.229012 4.364785 0.373578\n-0.705440 0.145444 8.480967\nZn H C O\n1 6 5 4\ndirect\n0.833778 0.840366 0.757269 Zn\n-0.099136 0.486251 0.375732 H\n0.357707 0.464774 0.431433 H\n0.154544 0.019022 0.216905 H\n0.006786 0.582719 0.093543 H\n0.608438 0.004910 0.273419 H\n0.465973 0.548147 0.138935 H\n0.214819 0.100660 0.541174 C\n0.186877 0.324030 0.396777 C\n0.321350 0.163609 0.248865 C\n0.287268 0.409884 0.111326 C\n0.394151 0.291805 0.953713 C\n-0.044982 0.174673 0.631933 O\n0.500497 0.850966 0.568060 O\n0.617525 0.010525 0.952799 O\n0.279147 0.476179 0.827048 O\n",
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{
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"created_at": "2022-09-04T14:36:02.911053Z",
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"structure_string": "Zn2 H8 C4 O12\n1.0\n5.209607 -0.000000 1.793026\n2.559194 5.625834 1.029031\n0.075055 0.023285 8.246655\nZn H C O\n2 8 4 12\ndirect\n0.435761 0.749999 0.750000 Zn\n0.564239 0.250000 0.250000 Zn\n0.180377 0.190408 0.641564 H\n0.647772 0.311516 0.650719 H\n0.110008 0.188483 0.849281 H\n0.352228 0.688483 0.349281 H\n0.819623 0.809591 0.358436 H\n0.487648 0.690408 0.141564 H\n0.889992 0.811516 0.150719 H\n0.512351 0.309591 0.858436 H\n0.116993 0.248128 0.149717 C\n0.985163 0.748127 0.649717 C\n0.883007 0.751870 0.850283 C\n0.014836 0.251871 0.350283 C\n0.818767 0.746092 0.575962 O\n0.049377 0.752578 0.925191 O\n0.359176 0.246093 0.075962 O\n0.227148 0.747419 0.574809 O\n0.640823 0.753905 0.924038 O\n0.772852 0.252579 0.425191 O\n0.374660 0.625121 0.240082 O\n0.739863 0.874878 0.259918 O\n0.260136 0.125121 0.740082 O\n0.950623 0.247420 0.074809 O\n0.181232 0.253906 0.424038 O\n0.625340 0.374878 0.759918 O\n",
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],
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"formula_full": "Zn2 H8 C4 O12",
"formula_reduced": "ZnH4(CO3)2",
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"spacegroup": 15
},
{
"id": "jvasp-101900",
"created_at": "2022-09-04T14:36:41.263510Z",
"updated_at": "2022-09-04T14:36:41.263532Z",
"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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],
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"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
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"spacegroup": 2
},
{
"id": "jvasp-103920",
"created_at": "2022-09-04T14:36:42.272869Z",
"updated_at": "2022-09-04T14:36:42.272902Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.087389 0.105366 0.267174\n1.717864 4.080267 0.230123\n0.312191 -0.297183 11.300476\nZn H C O\n1 10 7 4\ndirect\n0.954397 0.035467 0.197310 Zn\n0.248531 0.801334 0.583089 H\n0.188051 0.782163 0.812992 H\n0.882310 0.598125 0.811206 H\n0.349884 0.123143 0.689771 H\n0.657198 0.304009 0.693826 H\n0.625455 0.265345 0.911711 H\n0.316418 0.088179 0.914183 H\n0.741343 0.277437 0.479377 H\n0.404585 0.146977 0.456513 H\n0.943863 0.618682 0.575316 H\n0.379757 0.563019 0.354094 C\n0.452363 0.370548 0.469223 C\n0.230849 0.560579 0.579991 C\n0.367551 0.364337 0.692865 C\n0.171364 0.541524 0.808853 C\n0.334127 0.328607 0.915614 C\n0.187331 0.471550 0.038670 C\n0.019145 0.786148 0.049540 O\n0.606826 0.477828 0.264053 O\n0.081196 0.819488 0.351970 O\n0.256180 0.268489 0.125207 O\n",
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"elements": [
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"formula_full": "Zn1 H10 C7 O4",
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"formula_anonymous": "AB4C7D10",
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},
{
"id": "jvasp-101903",
"created_at": "2022-09-04T14:36:42.267238Z",
"updated_at": "2022-09-04T14:36:42.267266Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.454606 -0.070306 -0.467428\n-1.372677 4.253262 0.573060\n-0.258148 0.046116 7.590546\nZn H C O\n1 4 4 4\ndirect\n0.611696 0.160263 0.268297 Zn\n0.509651 0.864682 0.689630 H\n0.105605 -0.000945 0.694459 H\n0.118470 0.321381 0.842178 H\n0.714363 0.455696 0.846970 H\n0.987041 0.665702 0.506188 C\n0.175638 0.781295 0.688940 C\n0.048379 0.539125 0.847677 C\n0.236866 0.654742 0.030429 C\n0.026075 0.871983 0.369000 O\n0.800290 0.371572 0.497171 O\n0.197714 0.448473 0.167628 O\n0.423598 0.948874 0.039443 O\n",
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"elements": [
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],
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"density_atomic": 0.11793155185153614,
"volume": 110.2334345295963,
"volume_molar": 5.106471224580564,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.957131107692308,
"spacegroup": 2
}
]
}