Structure

Basic information

Pretty formulaNa4CaTa4TiO15
Full formulaNa16Ca4Ta16Ti4O60
Tags
Constituent elementsCa; Na; O; Ta; Ti;
Number of elements5
Number of sites100
Volume1,199.52370 Å3
Density6.33297 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a5.504 Å b5.578 Å c39.071 Å
α89.869° β89.950° γ90.203°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-821.49091 eV -8.21491 eV -3.17249 eV 2.16070 eV 0.00003 eV 0.01271 eV