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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-687380
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['C', 'H', 'I', 'In', 'Se']
  • Chemical System: C-H-I-In-Se
  • Density: 2.9640892633217035
  • Atomic Density: 0.05503214194650289
  • Unit Cell Volume: 1599.0655076726866
  • Molar Volume: 10.94295178598384
  • Full Formula: In4 H48 C16 Se8 I12
  • Reduced Formula: InH12C4Se2I3
  • Formula Anonymous: AB2C3D4E12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m