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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12571
  • 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: 16
  • Number of elements: 4
  • Element list: ['Hg', 'H', 'O', 'F']
  • Chemical System: F-H-Hg-O
  • Density: 7.492026473620715
  • Atomic Density: 0.0762786978449445
  • Unit Cell Volume: 209.75712029751736
  • Molar Volume: 7.894918149024391
  • Full Formula: Hg4 H4 O4 F4
  • Reduced Formula: HgHOF
  • Formula Anonymous: ABCD
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222