Structure

Basic information

Pretty formulaCuH4SeO5
Full formulaCu4H16Se4O20
TagsDiaquacopper selenate(IV);
Chalcomenite
Constituent elementsCu; H; O; Se;
Number of elements4
Number of sites44
Volume465.44981 Å3
Density3.23274 g/cm3
Source Materials Project

Space group

Spacegroup Number19
Hermann MauguinP212121
HallP 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a6.668 Å b9.319 Å c7.490 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
-221.78845 eV -5.04065 eV -1.24852 eV 0.00000 eV -3.85486 eV 0.01225 eV