Structure

Basic information

Pretty formulaCa9LaTi4Mn6O30
Full formulaCa18La2Ti8Mn12O60
Tags
Constituent elementsCa; La; Mn; O; Ti;
Number of elements5
Number of sites100
Volume1,126.17337 Å3
Density4.42551 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a5.395 Å b5.442 Å c38.356 Å
α90.054° β90.003° γ89.896°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-752.21431 eV -7.52214 eV -2.99465 eV 0.03020 eV 37.97937 eV 0.00987 eV