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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114741
  • 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', 'Cd', 'F']
  • Chemical System: Cd-F-Tl
  • Density: 5.82633408737053
  • Atomic Density: 0.053596869238064976
  • Unit Cell Volume: 111.94683729285342
  • Molar Volume: 11.235993530239679
  • Full Formula: Tl1 Cd1 F4
  • Reduced Formula: TlCdF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm