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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52911
  • 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: 22
  • Number of elements: 5
  • Element list: ['Li', 'As', 'H', 'O', 'F']
  • Chemical System: As-F-H-Li-O
  • Density: 2.945455914693974
  • Atomic Density: 0.09123252586969033
  • Unit Cell Volume: 241.1420684704394
  • Molar Volume: 6.600870361302472
  • Full Formula: Li2 As2 H4 O2 F12
  • Reduced Formula: LiAsH2OF6
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm