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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-651966
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['As', 'Cs', 'Se']
  • Chemical System: As-Cs-Se
  • Density: 4.45793871519516
  • Atomic Density: 0.030998676866805387
  • Unit Cell Volume: 1548.4531874133088
  • Molar Volume: 19.427089697653347
  • Full Formula: Cs8 As16 Se24
  • Reduced Formula: CsAs2Se3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm