Detail information of Ca2CrH2I2O11

Structure

Basic information

Pretty formulaCa2CrH2I2O11
Full formulaCa8Cr4H8I8O44
TagsDicalcium bis(iodate(V)) chromate hydrate;
Dietzeite
Constituent elementsCa; Cr; H; I; O;
Number of elements5
Number of sites72
Volume1,020.97782 Å3
Density3.66901 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a10.247 Å b7.341 Å c14.161 Å
α90.000° β106.573° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-401.28302 eV -5.57338 eV -1.81194 eV 2.94790 eV 0.00002 eV 0.00992 eV