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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-14572
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Hg', 'O']
  • Chemical System: Ca-Hg-O
  • Density: 6.576552748578758
  • Atomic Density: 0.05810010808971651
  • Unit Cell Volume: 68.8466877518251
  • Molar Volume: 10.365111112531467
  • Full Formula: Ca1 Hg1 O2
  • Reduced Formula: CaHgO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m