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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112607
  • 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: 22
  • Number of elements: 3
  • Element list: ['Au', 'Xe', 'F']
  • Chemical System: Au-F-Xe
  • Density: 5.025070281005324
  • Atomic Density: 0.06667635217205703
  • Unit Cell Volume: 329.95206371262526
  • Molar Volume: 9.031898962408714
  • Full Formula: Au2 Xe2 F18
  • Reduced Formula: AuXeF9
  • Formula Anonymous: ABC9
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m