Detail information of ZrH11C4NOF5

Structure

Basic information

Pretty formulaZrH11C4NOF5
Full formulaZr8H88C32N8O8F40
TagsTetramethylammonium aquapentafluorozirconate
Constituent elementsC; F; H; N; O; Zr;
Number of elements6
Number of sites184
Volume1,936.78210 Å3
Density1.88863 g/cm3
Source Materials Project

Space group

Spacegroup Number61
Hermann MauguinPbca
Hall-P 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a9.867 Å b19.319 Å c10.160 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-997.30154 eV -5.42012 eV -1.05593 eV 0.69860 eV 20.65384 eV 0.40581 eV