Detail information of Si4Cu5(HO7)2

Structure

Basic information

Pretty formulaSi4Cu5(HO7)2
Full formulaSi16Cu20H8O56
TagsPentacopper dihydroxide catena-silicate;
Shattuckite
Constituent elementsCu; H; O; Si;
Number of elements4
Number of sites100
Volume1,193.35850 Å3
Density3.65170 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a10.509 Å b21.270 Å c5.339 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
-631.45918 eV -6.31459 eV -1.99698 eV 0.01580 eV 9.94941 eV 0.12799 eV