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-63715
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Al', 'Tl', 'Cl']
  • Chemical System: Al-Cl-Tl
  • Density: 3.586633558219682
  • Atomic Density: 0.03472757671237125
  • Unit Cell Volume: 691.0934269551354
  • Molar Volume: 17.34109123097752
  • Full Formula: Al4 Tl4 Cl16
  • Reduced Formula: AlTlCl4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm