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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116081
  • 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: 3
  • Number of elements: 3
  • Element list: ['Tl', 'Zn', 'F']
  • Chemical System: F-Tl-Zn
  • Density: 7.8260994576234815
  • Atomic Density: 0.04895919989420422
  • Unit Cell Volume: 61.27551117017211
  • Molar Volume: 12.300325113590958
  • Full Formula: Tl1 Zn1 F1
  • Reduced Formula: TlZnF
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2