Structure

Basic information

Pretty formulaCa8La2Ti5Cr5O30
Full formulaCa16La4Ti10Cr10O60
Tags
Constituent elementsCa; Cr; La; O; Ti;
Number of elements5
Number of sites100
Volume1,151.16550 Å3
Density4.55171 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a5.444 Å b5.502 Å c38.435 Å
α89.962° β89.958° γ89.758°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-781.90385 eV -7.81904 eV -3.20990 eV 0.49890 eV 23.99741 eV 0.02108 eV