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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-94121
  • Created at: Sept. 4, 2022, 3:21 p.m.
  • Last updated at: Sept. 4, 2022, 3:21 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Br', 'Cs', 'Cu']
  • Chemical System: Br-Cs-Cu
  • Density: 4.128022174574458
  • Atomic Density: 0.026865631482214394
  • Unit Cell Volume: 1488.8911145260379
  • Molar Volume: 22.415779669972707
  • Full Formula: Cs12 Cu8 Br20
  • Reduced Formula: Cs3Cu2Br5
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm