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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117361
  • 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: 30
  • Number of elements: 4
  • Element list: ['Ba', 'As', 'Xe', 'F']
  • Chemical System: As-Ba-F-Xe
  • Density: 4.142437547213685
  • Atomic Density: 0.054964029195714595
  • Unit Cell Volume: 545.8115141664146
  • Molar Volume: 10.956512555796273
  • Full Formula: Ba1 As2 Xe5 F22
  • Reduced Formula: BaAs2Xe5F22
  • Formula Anonymous: AB2C5D22
  • Spacegroup Number: 69
  • Spacegroup Symbol: Fmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm