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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57781
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Zn', 'F']
  • Chemical System: Ca-F-Zn
  • Density: 3.867233191967473
  • Atomic Density: 0.07699672912440292
  • Unit Cell Volume: 155.85077621429488
  • Molar Volume: 7.821294265981198
  • Full Formula: Ca2 Zn2 F8
  • Reduced Formula: CaZnF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m