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-114063
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Al', 'Cl']
  • Chemical System: Al-Cl
  • Density: 2.355098340716881
  • Atomic Density: 0.0434664123314898
  • Unit Cell Volume: 69.0188087556196
  • Molar Volume: 13.854699380462058
  • Full Formula: Al1 Cl2
  • Reduced Formula: AlCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm