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-24901
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Sb', 'S', 'Cl']
  • Chemical System: Cl-S-Sb
  • Density: 2.500985904168669
  • Atomic Density: 0.03503351238686429
  • Unit Cell Volume: 627.9701491834667
  • Molar Volume: 17.189657415731975
  • Full Formula: Sb2 S2 Cl18
  • Reduced Formula: SbSCl9
  • Formula Anonymous: ABC9
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m