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-651452
  • Created at: Sept. 4, 2022, 3:22 p.m.
  • Last updated at: Sept. 4, 2022, 3:22 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['As', 'Cs', 'Ge', 'Se']
  • Chemical System: As-Cs-Ge-Se
  • Density: 4.055894647529167
  • Atomic Density: 0.02595445822065179
  • Unit Cell Volume: 1541.161046782023
  • Molar Volume: 23.202721893875722
  • Full Formula: Cs12 Ge4 As4 Se20
  • Reduced Formula: Cs3GeAsSe5
  • Formula Anonymous: ABC3D5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m