Structure

Basic information

Pretty formulaBa2Na7Ti16Bi7O48
Full formulaBa2Na7Ti16Bi7O48
Tags
Constituent elementsBa; Bi; Na; O; Ti;
Number of elements5
Number of sites80
Volume992.93804 Å3
Density5.73998 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a5.655 Å b5.654 Å c45.042 Å
α59.008° β59.007° γ58.702°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-603.90395 eV -7.54880 eV -2.92645 eV 2.44870 eV 0.00000 eV 0.02295 eV