Structure

Basic information

Pretty formulaCa7La3Ti5Cr5O30
Full formulaCa14La6Ti10Cr10O60
Tags
Constituent elementsCa; Cr; La; O; Ti;
Number of elements5
Number of sites100
Volume1,162.90510 Å3
Density4.78800 g/cm3
Source Materials Project

Space group

Spacegroup Number6
Hermann MauguinPm
HallP -2y
Crystal SystemMonoclinic

Lattice Parameters

a5.477 Å b5.521 Å c38.459 Å
α90.000° β90.000° γ89.814°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-793.66726 eV -7.93667 eV -3.26900 eV 0.02590 eV 25.99837 eV 0.01363 eV