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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91697
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Ba', 'Zn', 'As', 'F']
  • Chemical System: As-Ba-F-Zn
  • Density: 5.6393075398627435
  • Atomic Density: 0.04579135893342858
  • Unit Cell Volume: 174.70545068623952
  • Molar Volume: 13.151260194647163
  • Full Formula: Ba2 Zn2 As2 F2
  • Reduced Formula: BaZnAsF
  • Formula Anonymous: ABCD
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm