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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1759426
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['B', 'Cs', 'S']
  • Chemical System: B-Cs-S
  • Density: 2.998709235273774
  • Atomic Density: 0.03763607150962207
  • Unit Cell Volume: 531.4050908551066
  • Molar Volume: 16.000981288550204
  • Full Formula: Cs4 B4 S12
  • Reduced Formula: CsBS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m