Structure

Basic information

Pretty formulaCa10Ti8NbFeO30
Full formulaCa20Ti16Nb2Fe2O60
Tags
Constituent elementsCa; Fe; Nb; O; Ti;
Number of elements5
Number of sites100
Volume1,161.87284 Å3
Density4.03732 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a5.437 Å b5.534 Å c38.618 Å
α90.073° β90.045° γ90.234°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-797.62691 eV -7.97627 eV -3.45600 eV 2.04990 eV 10.00374 eV 0.00000 eV