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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-653966
  • 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: 48
  • Number of elements: 3
  • Element list: ['Br', 'Ga', 'Tl']
  • Chemical System: Br-Ga-Tl
  • Density: 4.425058773879867
  • Atomic Density: 0.026930091879776113
  • Unit Cell Volume: 1782.3927305664674
  • Molar Volume: 22.362124818900046
  • Full Formula: Tl8 Ga8 Br32
  • Reduced Formula: TlGaBr4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m