Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-96072
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Ba', 'Al', 'Cl']
  • Chemical System: Al-Ba-Cl
  • Density: 2.4188359666470327
  • Atomic Density: 0.0337392141188067
  • Unit Cell Volume: 652.060238348495
  • Molar Volume: 17.84908426969903
  • Full Formula: Ba2 Al4 Cl16
  • Reduced Formula: Ba(AlCl4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m