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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103403
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Tl', 'Bi', 'F']
  • Chemical System: Bi-F-Tl
  • Density: 7.597758359168795
  • Atomic Density: 0.05609983026928987
  • Unit Cell Volume: 106.95219524192599
  • Molar Volume: 10.734686238964676
  • Full Formula: Tl1 Bi1 F4
  • Reduced Formula: TlBiF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm