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{
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{
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{
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{
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"structure_string": "Zn6 P8 H48 C12 N4 O24\n1.0\n0.000000 -8.698815 0.000000\n-8.332334 -4.349408 0.000000\n-1.016205 -4.349408 -15.855303\nZn P H C N O\n6 8 48 12 4 24\ndirect\n0.658146 0.750000 0.250000 Zn\n0.341854 0.250000 0.750000 Zn\n0.486934 0.748045 0.520744 Zn\n0.755723 0.751955 0.979256 Zn\n0.513066 0.251955 0.479256 Zn\n0.244277 0.248045 0.020744 Zn\n0.413172 0.607383 0.378070 P\n0.398625 0.892617 0.121930 P\n0.586828 0.392617 0.621930 P\n0.601375 0.107383 0.878070 P\n0.736303 0.900122 0.395323 P\n0.031749 0.599878 0.104677 P\n0.263697 0.099878 0.604677 P\n0.968251 0.400122 0.895323 P\n0.923867 0.824729 0.374021 H\n0.122618 0.675271 0.125979 H\n0.076133 0.175271 0.625979 H\n0.877382 0.324729 0.874021 H\n0.272375 0.690303 0.334720 H\n0.297398 0.809697 0.165280 H\n0.727625 0.309697 0.665280 H\n0.702602 0.190303 0.834720 H\n0.787826 0.765204 0.567966 H\n0.120996 0.734796 0.932034 H\n0.212174 0.234796 0.432034 H\n0.879004 0.265204 0.067966 H\n0.816165 0.718724 0.748930 H\n0.283820 0.781276 0.751070 H\n0.183835 0.281276 0.251070 H\n0.716180 0.218724 0.248930 H\n0.627636 0.863679 0.707038 H\n0.198353 0.636321 0.792962 H\n0.372364 0.136321 0.292962 H\n0.801647 0.363679 0.207038 H\n0.695028 0.652688 0.703696 H\n0.051412 0.847312 0.796304 H\n0.304972 0.347312 0.296304 H\n0.948588 0.152688 0.203696 H\n0.104058 0.560761 0.642771 H\n0.307589 0.939239 0.857229 H\n0.895942 0.439239 0.357229 H\n0.692411 0.060761 0.142771 H\n0.964095 0.488372 0.618690 H\n0.071157 0.011628 0.881310 H\n0.035905 0.511628 0.381310 H\n0.928843 0.988372 0.118690 H\n0.083843 0.573822 0.536170 H\n0.193834 0.926178 0.963830 H\n0.916157 0.426178 0.463830 H\n0.806166 0.073822 0.036170 H\n0.008508 0.863131 0.541461 H\n0.413100 0.636869 0.958539 H\n0.991492 0.136869 0.458539 H\n0.586900 0.363131 0.041461 H\n0.806418 0.987452 0.609583 H\n0.403453 0.512548 0.890417 H\n0.193582 0.012548 0.390417 H\n0.596547 0.487452 0.109583 H\n0.996718 0.847175 0.652051 H\n0.495943 0.652825 0.847949 H\n0.003282 0.152825 0.347949 H\n0.504057 0.347175 0.152051 H\n0.740955 0.744672 0.699944 C\n0.185571 0.755328 0.800056 C\n0.259045 0.255328 0.300056 C\n0.814429 0.244672 0.199944 C\n0.013710 0.579708 0.602289 C\n0.195706 0.920292 0.897711 C\n0.986290 0.420292 0.397711 C\n0.804294 0.079708 0.102289 C\n0.921369 0.869438 0.603716 C\n0.394523 0.630562 0.896284 C\n0.078631 0.130562 0.396284 C\n0.605477 0.369438 0.103716 C\n0.859511 0.741669 0.615232 N\n0.216411 0.758331 0.884768 N\n0.140489 0.258331 0.384768 N\n0.783589 0.241669 0.115232 N\n0.693748 0.800376 0.476560 O\n0.970684 0.699624 0.023440 O\n0.306252 0.199624 0.523440 O\n0.029316 0.300376 0.976560 O\n0.666858 0.890534 0.321175 O\n0.878567 0.609466 0.178825 O\n0.333142 0.109466 0.678825 O\n0.121433 0.390534 0.821175 O\n0.360476 0.718228 0.449292 O\n0.527995 0.781772 0.050708 O\n0.639524 0.281772 0.550708 O\n0.472005 0.218228 0.949292 O\n0.587787 0.587096 0.316134 O\n0.491017 0.912904 0.183866 O\n0.412213 0.412904 0.683866 O\n0.508983 0.087096 0.816134 O\n0.592113 0.554648 0.593084 O\n0.739845 0.945352 0.906916 O\n0.407887 0.445352 0.406916 O\n0.260155 0.054648 0.093084 O\n0.314226 0.926223 0.590912 O\n0.831360 0.573777 0.909088 O\n0.685774 0.073777 0.409088 O\n0.168640 0.426223 0.090912 O\n",
"nsites": 102,
"nelements": 6,
"elements": [
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"N",
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],
"chemical_system": "C-H-N-O-P-Zn",
"density": 1.8390619430315667,
"density_atomic": 0.08875623285768938,
"volume": 1149.2150659835406,
"volume_molar": 6.785034206730952,
"formula_full": "Zn6 P8 H48 C12 N4 O24",
"formula_reduced": "Zn3P4H24C6(NO6)2",
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"band_gap": 4.9593,
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"updated_at": "2021-11-28T01:37:42.544000Z",
"spacegroup": 15
},
{
"id": "mp-1196440",
"created_at": "2022-09-04T14:41:20.142106Z",
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"elements": [
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],
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"formula_full": "Zn4 Si16 H140 C52 Cl4 O4",
"formula_reduced": "ZnSi4H35C13ClO",
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"updated_at": "2021-11-28T01:35:17.344000Z",
"spacegroup": 14
}
]
}