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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90623
  • 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', 'Cd', 'As', 'F']
  • Chemical System: As-Ba-Cd-F
  • Density: 6.024291922612438
  • Atomic Density: 0.04222702059841384
  • Unit Cell Volume: 189.45215377805985
  • Molar Volume: 14.261344216708029
  • Full Formula: Ba2 Cd2 As2 F2
  • Reduced Formula: BaCdAsF
  • Formula Anonymous: ABCD
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm