Structure

Basic information

Pretty formulaCa5Ti3NbAl(SiO5)5
Full formulaCa10Ti6Nb2Al2Si10O50
Tags
Constituent elementsAl; Ca; Nb; O; Si; Ti;
Number of elements6
Number of sites80
Volume945.66860 Å3
Density3.52695 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a5.473 Å b27.532 Å c7.127 Å
α104.377° β103.695° γ105.868°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-636.61193 eV -7.95765 eV -3.44491 eV 2.92160 eV 0.00001 eV 0.00980 eV