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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1346105
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Ca', 'In', 'Se']
  • Chemical System: Ca-In-Se
  • Density: 4.865656568301301
  • Atomic Density: 0.035028653425608076
  • Unit Cell Volume: 1598.691200588961
  • Molar Volume: 17.1920418602145
  • Full Formula: Ca8 In16 Se32
  • Reduced Formula: Ca(InSe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm