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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9621
  • 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: 12
  • Number of elements: 3
  • Element list: ['Sc', 'O', 'F']
  • Chemical System: F-O-Sc
  • Density: 3.8108484634523823
  • Atomic Density: 0.08611031699701732
  • Unit Cell Volume: 139.35612384768777
  • Molar Volume: 6.993518279823071
  • Full Formula: Sc4 O4 F4
  • Reduced Formula: ScOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m