Detail information of ZrCd2H12(O3F4)2

Structure

Basic information

Pretty formulaZrCd2H12(O3F4)2
Full formulaZr2Cd4H24O12F16
TagsDicadmium octafluorozirconate hexahydrate
Constituent elementsCd; F; H; O; Zr;
Number of elements5
Number of sites58
Volume582.13398 Å3
Density3.28680 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a7.162 Å b13.843 Å c7.162 Å
α65.892° β108.399° γ114.108°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-292.97751 eV -5.05134 eV -2.08519 eV 4.49230 eV 0.00000 eV 0.00000 eV