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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-67029
  • 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: 3
  • Number of elements: 3
  • Element list: ['Sc', 'Be', 'Fe']
  • Chemical System: Be-Fe-Sc
  • Density: 4.240019633534594
  • Atomic Density: 0.06975669513637311
  • Unit Cell Volume: 43.00662458470908
  • Molar Volume: 8.633064895386488
  • Full Formula: Sc1 Be1 Fe1
  • Reduced Formula: ScBeFe
  • Formula Anonymous: ABC
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1