Structure

Basic information

Pretty formulaCa6La14Mg7Ti13O60
Full formulaCa6La14Mg7Ti13O60
Tags
Constituent elementsCa; La; Mg; O; Ti;
Number of elements5
Number of sites100
Volume1,229.28348 Å3
Density5.31887 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a5.567 Å b5.602 Å c39.416 Å
α90.129° β90.024° γ89.614°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-812.61066 eV -8.12611 eV -3.63832 eV 1.41480 eV 0.00116 eV 0.03274 eV