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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-645001
  • Created at: Sept. 4, 2022, 3:30 p.m.
  • Last updated at: Sept. 4, 2022, 3:30 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Al', 'As', 'Cs']
  • Chemical System: Al-As-Cs
  • Density: 3.7598322673720985
  • Atomic Density: 0.02360447173642879
  • Unit Cell Volume: 2033.5129943163092
  • Molar Volume: 25.512711435545615
  • Full Formula: Cs24 Al8 As16
  • Reduced Formula: Cs3AlAs2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m