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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-651982
  • Created at: Sept. 4, 2022, 3:22 p.m.
  • Last updated at: Sept. 4, 2022, 3:22 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['As', 'Hg', 'I']
  • Chemical System: As-Hg-I
  • Density: 6.777430021214996
  • Atomic Density: 0.02699730847568639
  • Unit Cell Volume: 1481.6291792948084
  • Molar Volume: 22.306448679591536
  • Full Formula: Hg16 As4 I20
  • Reduced Formula: Hg4AsI5
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm