Structure

Basic information

Pretty formulaCaTiO3
Full formulaCa8Ti8O24
TagsCalcium titanate;
Calcium titanate - Pbnm;
Perovskite
Constituent elementsCa; O; Ti;
Number of elements3
Number of sites40
Volume458.29929 Å3
Density3.94046 g/cm3
Source Materials Project

Space group

Spacegroup Number62
Hermann MauguinPnma
Hall-P 2ac 2n
Crystal SystemOrthorhombic

Lattice Parameters

a7.719 Å b7.694 Å c7.719 Å
α90.000° β88.954° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-323.71145 eV -8.09279 eV -3.57348 eV 2.32380 eV 0.00000 eV 0.00000 eV