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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120917
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Tl', 'Br', 'O']
  • Chemical System: Br-O-Tl
  • Density: 6.0283825195164145
  • Atomic Density: 0.040337617220408614
  • Unit Cell Volume: 148.74453211292635
  • Molar Volume: 14.929341827739712
  • Full Formula: Tl1 Br4 O1
  • Reduced Formula: TlBr4O
  • Formula Anonymous: ABC4
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m