Structure

Basic information

Pretty formulaCa6La4Ti5Cr5O30
Full formulaCa12La8Ti10Cr10O60
Tags
Constituent elementsCa; Cr; La; O; Ti;
Number of elements5
Number of sites100
Volume1,179.60236 Å3
Density4.99846 g/cm3
Source Materials Project

Space group

Spacegroup Number6
Hermann MauguinPm
HallP -2y
Crystal SystemMonoclinic

Lattice Parameters

a5.527 Å b5.552 Å c38.443 Å
α89.934° β89.993° γ89.795°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-805.13484 eV -8.05135 eV -3.32513 eV 0.16540 eV 27.87170 eV 0.00978 eV
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