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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-65929
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Hg', 'I', 'Sb']
  • Chemical System: Hg-I-Sb
  • Density: 6.921097877416053
  • Atomic Density: 0.02698533749344872
  • Unit Cell Volume: 1926.9723794495485
  • Molar Volume: 22.316344057071756
  • Full Formula: Hg20 Sb8 I24
  • Reduced Formula: Hg5(SbI3)2
  • Formula Anonymous: A2B5C6
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2