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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59633
  • 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: 3
  • Element list: ['Tb', 'Ca', 'F']
  • Chemical System: Ca-F-Tb
  • Density: 4.742448219754595
  • Atomic Density: 0.0729974678006931
  • Unit Cell Volume: 219.185685230688
  • Molar Volume: 8.2497940564766
  • Full Formula: Ca2 Tb2 F12
  • Reduced Formula: CaTbF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 84
  • Spacegroup Symbol: P4_2/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m