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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9133
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Tl', 'F']
  • Chemical System: F-Tl
  • Density: 8.376532187696908
  • Atomic Density: 0.07719786299127955
  • Unit Cell Volume: 207.25962325935623
  • Molar Volume: 7.800916407077582
  • Full Formula: Tl4 F12
  • Reduced Formula: TlF3
  • Formula Anonymous: AB3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm