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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59715
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Tl', 'Hg', 'N', 'O']
  • Chemical System: Hg-N-O-Tl
  • Density: 4.512470902941382
  • Atomic Density: 0.05505114176829682
  • Unit Cell Volume: 199.81420269714997
  • Molar Volume: 10.939175040812806
  • Full Formula: Tl1 Hg1 N3 O6
  • Reduced Formula: TlHg(NO2)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3