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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121003
  • 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: 5
  • Number of elements: 3
  • Element list: ['H', 'O', 'F']
  • Chemical System: F-H-O
  • Density: 2.8244056576017345
  • Atomic Density: 0.22367493820326886
  • Unit Cell Volume: 22.353867805503334
  • Molar Volume: 2.6923627691034677
  • Full Formula: H3 O1 F1
  • Reduced Formula: H3OF
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m