Detail information of Ca3Si9Cu5O26

Structure

Basic information

Pretty formulaCa3Si9Cu5O26
Full formulaCa6Si18Cu10O52
TagsCalcium copper silicate *;
Liebauite
Constituent elementsCa; Cu; O; Si;
Number of elements4
Number of sites86
Volume1,045.56122 Å3
Density3.51533 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.195 Å b7.195 Å c20.207 Å
α88.957° β91.043° γ90.797°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-608.00068 eV -7.06978 eV -2.75855 eV 0.00000 eV 2.00014 eV 0.04708 eV