Structure

Basic information

Pretty formulaNaCa4Ti4Nb(SiO5)5
Full formulaNa2Ca8Ti8Nb2Si10O50
Tags
Constituent elementsCa; Na; Nb; O; Si; Ti;
Number of elements6
Number of sites80
Volume956.62322 Å3
Density3.49975 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a5.514 Å b5.497 Å c35.936 Å
α104.181° β104.482° γ105.687°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-639.41114 eV -7.99264 eV -3.39329 eV 2.95590 eV 0.00015 eV 0.00484 eV