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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116090
  • 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: ['Zr', 'Tl', 'F']
  • Chemical System: F-Tl-Zr
  • Density: 5.5887434317399025
  • Atomic Density: 0.054342492394051
  • Unit Cell Volume: 110.41083571383697
  • Molar Volume: 11.081826568299356
  • Full Formula: Zr1 Tl1 F4
  • Reduced Formula: ZrTlF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm