Structure

Basic information

Pretty formulaCaEr15Si8Se11ClO28
Full formulaCa1Er15Si8Se11Cl1O28
Tags
Constituent elementsCa; Cl; Er; O; Se; Si;
Number of elements6
Number of sites64
Volume973.83923 Å3
Density7.03483 g/cm3
Source Materials Project

Space group

Spacegroup Number8
Hermann MauguinCm
HallC -2y
Crystal SystemMonoclinic

Lattice Parameters

a10.869 Å b10.876 Å c10.871 Å
α100.919° β113.853° γ113.907°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-472.29817 eV -7.37966 eV -3.12786 eV 2.50230 eV -0.00005 eV 0.03868 eV