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-25872
  • 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: 14
  • Number of elements: 4
  • Element list: ['Al', 'S', 'Cl', 'O']
  • Chemical System: Al-Cl-O-S
  • Density: 2.1303662341497955
  • Atomic Density: 0.04549320343957384
  • Unit Cell Volume: 307.7382760832713
  • Molar Volume: 13.237451541522866
  • Full Formula: Al2 S2 Cl6 O4
  • Reduced Formula: AlSCl3O2
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1