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{
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{
"id": "jvasp-112141",
"created_at": "2022-09-04T14:38:45.039763Z",
"updated_at": "2022-09-04T14:38:45.039788Z",
"structure_string": "Zn1 H20 C12 O4\n1.0\n4.177539 -0.142364 -0.333249\n-1.935365 4.531965 -0.312066\n-0.052480 0.039825 15.403847\nZn H C O\n1 20 12 4\ndirect\n0.394622 0.219300 0.145787 Zn\n0.104875 0.217511 0.491762 H\n0.890560 0.343765 0.348835 H\n0.308537 0.583340 0.969756 H\n0.545715 0.437687 0.776155 H\n0.122597 0.288049 0.810551 H\n0.330134 0.083371 0.636083 H\n0.899932 0.938186 0.666361 H\n0.109385 0.730657 0.494669 H\n0.677910 0.582609 0.524168 H\n0.668164 0.788084 0.912705 H\n0.460917 0.216546 0.379407 H\n0.800447 0.310006 0.910284 H\n0.379675 0.125306 0.944362 H\n0.544802 0.922975 0.772606 H\n0.115395 0.778061 0.803685 H\n0.320869 0.568888 0.631800 H\n0.889778 0.423470 0.661518 H\n0.882581 0.837982 0.363565 H\n0.453956 0.702758 0.392918 H\n0.674830 0.071978 0.521723 H\n0.811717 0.711147 0.041133 C\n0.571265 0.606984 0.955120 C\n0.538185 0.311188 0.908582 C\n0.371459 0.261405 0.813288 C\n0.298367 0.953945 0.767907 C\n0.146298 0.907163 0.671541 C\n0.705819 0.184905 0.388104 C\n0.925115 0.553222 0.529619 C\n0.856697 0.245845 0.485174 C\n0.634351 0.866190 0.353996 C\n0.499628 0.756525 0.258061 C\n0.074442 0.599853 0.626246 C\n0.027917 0.989399 0.050614 O\n0.353010 0.470165 0.242492 O\n0.555085 0.936621 0.199868 O\n0.800701 0.531828 0.097761 O\n",
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{
"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",
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],
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"formula_full": "Zn1 H16 C10 O4",
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{
"id": "jvasp-112111",
"created_at": "2022-09-04T14:38:44.881469Z",
"updated_at": "2022-09-04T14:38:44.881493Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n3.881581 -0.258476 -0.332909\n-1.450868 4.498845 -0.149969\n-0.396934 0.036899 8.252537\nZn H C O\n1 6 5 4\ndirect\n0.346420 0.918027 0.264549 Zn\n0.334931 0.537337 0.650463 H\n0.884621 0.523288 0.573829 H\n0.040895 0.083952 0.819466 H\n0.243745 0.624990 0.938874 H\n0.597290 0.087643 0.743864 H\n0.805756 0.628713 0.866918 H\n0.004043 0.161771 0.482120 C\n0.042497 0.383270 0.622742 C\n0.892889 0.232511 0.775004 C\n0.949449 0.475214 0.909947 C\n0.809396 0.365927 0.068539 C\n0.260105 0.235280 0.392572 O\n0.715821 0.914355 0.455749 O\n0.580404 0.091228 0.069359 O\n0.906223 0.550870 0.194809 O\n",
"nsites": 16,
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"elements": [
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"formula_full": "Zn1 H6 C5 O4",
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{
"id": "jvasp-112083",
"created_at": "2022-09-04T14:38:44.273990Z",
"updated_at": "2022-09-04T14:38:44.274020Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n4.029751 0.082129 -0.016313\n0.697688 4.746522 0.108260\n-0.082229 0.141040 6.760412\nZn H C O\n1 4 4 4\ndirect\n0.765733 0.013833 0.733807 Zn\n0.302550 0.032122 0.147573 H\n0.896329 0.014763 0.236826 H\n0.225911 0.548398 0.223347 H\n0.818346 0.534459 0.305503 H\n0.265353 0.064757 0.457265 C\n0.111050 0.124049 0.251715 C\n0.008691 0.439622 0.202660 C\n0.881534 0.515475 0.991695 C\n0.173791 0.877481 0.575302 O\n0.501507 0.198837 0.505127 O\n0.728620 0.772760 0.963526 O\n-0.061001 0.342906 0.855466 O\n",
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],
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"density": 2.338801778033629,
"density_atomic": 0.10089185884915748,
"volume": 128.85083244859413,
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"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
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},
{
"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",
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"formula_full": "Zn1 H16 C10 O4",
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},
{
"id": "jvasp-112066",
"created_at": "2022-09-04T14:38:43.758089Z",
"updated_at": "2022-09-04T14:38:43.758109Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n3.989143 0.216549 0.407129\n1.312282 4.259507 0.465220\n-0.531755 0.394245 11.192493\nZn H C O\n1 10 7 4\ndirect\n0.298496 0.631766 0.815942 Zn\n0.564194 0.475964 0.434829 H\n0.593660 0.549135 0.202253 H\n0.062823 0.413892 0.203693 H\n0.080455 0.893739 0.320150 H\n0.612781 0.020058 0.318085 H\n0.608072 0.104154 0.085387 H\n0.081928 0.943875 0.092338 H\n0.622506 0.923531 0.541749 H\n0.083076 0.831953 0.552157 H\n0.031701 0.362623 0.435144 H\n0.755514 0.179772 0.663744 C\n0.828316 0.032367 0.546429 C\n0.813071 0.267926 0.433919 C\n0.836513 0.108711 0.319124 C\n0.834101 0.331668 0.204165 C\n0.848153 0.165547 0.090828 C\n0.871851 0.381432 0.978557 C\n0.167182 0.305814 0.921689 O\n0.913794 0.030099 0.759820 O\n0.513213 0.458499 0.663569 O\n0.605051 0.635099 0.947893 O\n",
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],
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},
{
"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",
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"formula_full": "Zn1 H18 C11 O4",
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},
{
"id": "jvasp-112065",
"created_at": "2022-09-04T14:38:44.120785Z",
"updated_at": "2022-09-04T14:38:44.120814Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n4.034112 0.081353 -0.015545\n0.685990 4.746549 0.112427\n-0.076956 0.141706 6.756257\nZn H C O\n1 4 4 4\ndirect\n0.101517 0.626775 0.714418 Zn\n0.045747 0.106436 0.142364 H\n0.639186 0.092161 0.225813 H\n0.969363 0.626194 0.211500 H\n0.563556 0.608220 0.300904 H\n0.984819 0.125304 0.456524 C\n0.856540 0.201088 0.245722 C\n0.754769 0.516658 0.196668 C\n0.600952 0.575993 0.991013 C\n0.138093 0.868380 0.484459 O\n0.927981 0.297615 0.592883 O\n0.693396 0.762894 0.872595 O\n0.364318 0.442179 0.943437 O\n",
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"elements": [
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],
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"formula_full": "Zn1 H4 C4 O4",
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},
{
"id": "jvasp-112049",
"created_at": "2022-09-04T14:38:43.295719Z",
"updated_at": "2022-09-04T14:38:43.295744Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.186412 -0.190639 -0.182048\n-1.322724 4.234221 -0.273169\n0.182758 -0.174150 10.694502\nZn H C O\n1 10 7 4\ndirect\n0.126632 0.935526 0.182657 Zn\n0.596979 0.160430 0.526683 H\n0.403554 0.135173 0.769217 H\n0.835416 0.253222 0.819389 H\n0.958097 0.756385 0.710721 H\n0.532634 0.635566 0.654113 H\n0.341278 0.611479 0.887560 H\n0.785450 0.783318 0.920562 H\n0.760659 0.682320 0.430623 H\n0.163741 0.805907 0.505408 H\n0.011144 0.255753 0.593575 H\n0.084045 0.458221 0.349706 C\n0.956455 0.590625 0.465197 C\n0.820980 0.361945 0.565628 C\n0.734810 0.542108 0.680731 C\n0.632980 0.346501 0.793367 C\n0.573185 0.555127 0.906209 C\n0.538178 0.395411 0.026984 C\n0.745101 0.518445 0.120136 O\n0.288440 0.651366 0.282367 O\n0.982563 0.153770 0.325285 O\n0.291410 0.126185 0.028893 O\n",
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],
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"formula_full": "Zn1 H10 C7 O4",
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},
{
"id": "jvasp-112129",
"created_at": "2022-09-04T14:38:45.159924Z",
"updated_at": "2022-09-04T14:38:45.159942Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n4.602189 0.115475 -0.437349\n-1.973714 4.343801 -0.351658\n-0.374472 -0.049715 11.741427\nZn H C O\n1 14 9 4\ndirect\n0.476182 0.267920 0.829069 Zn\n0.573153 0.694569 0.452172 H\n0.589462 0.438110 0.114674 H\n0.289033 0.454943 0.190996 H\n0.103275 0.929328 0.382993 H\n0.010403 0.585921 0.294008 H\n0.496121 0.351241 0.365411 H\n0.011864 0.345313 0.476286 H\n0.559742 0.844691 0.002447 H\n0.273834 0.896448 0.080368 H\n0.917918 -0.006827 0.188751 H\n0.630093 -0.008671 0.274484 H\n0.237219 0.912860 0.560974 H\n0.937519 0.825182 0.645199 H\n0.699726 0.284681 0.556587 H\n0.100010 0.494036 0.960689 C\n0.362001 0.728242 0.048441 C\n0.486679 0.592440 0.148752 C\n0.738556 0.845993 0.236269 C\n0.868242 0.455429 0.512749 C\n0.688579 0.554302 0.414973 C\n0.080547 0.725476 0.602222 C\n0.291324 0.657690 0.695940 C\n0.904149 0.732135 0.332845 C\n0.128918 0.259986 0.914227 O\n0.439483 0.852351 0.784813 O\n0.318299 0.401738 0.684693 O\n0.845225 0.540622 0.937165 O\n",
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"elements": [
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],
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"volume_molar": 5.088262830151798,
"formula_full": "Zn1 H14 C9 O4",
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},
{
"id": "jvasp-112048",
"created_at": "2022-09-04T14:38:43.470790Z",
"updated_at": "2022-09-04T14:38:43.470814Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.655771 0.012256 0.923682\n1.620899 4.379400 1.508543\n0.272437 0.300965 7.449339\nZn H C O\n1 4 4 4\ndirect\n0.812186 0.842545 0.289317 Zn\n0.615845 -0.004359 0.847285 H\n-0.003485 0.146592 0.774280 H\n0.132077 0.556454 0.773149 H\n0.520042 0.683148 0.738804 H\n0.712566 0.221758 0.543323 C\n0.696075 0.198962 0.754027 C\n0.419083 0.485304 0.816389 C\n0.333508 0.455104 0.032522 C\n0.821728 0.958992 0.509362 O\n0.619375 0.478955 0.415337 O\n0.186292 0.716082 0.071990 O\n0.382388 0.194527 0.158902 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.5798788824648815,
"density_atomic": 0.11129150768664514,
"volume": 116.81035031534563,
"volume_molar": 5.411141321722475,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.958604953846154,
"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
}
]
}