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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21636
  • 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', 'Al', 'Ru']
  • Chemical System: Al-Ru-Sc
  • Density: 4.3421333482792175
  • Atomic Density: 0.057697085102051335
  • Unit Cell Volume: 207.98277727159146
  • Molar Volume: 10.437513003210437
  • Full Formula: Sc4 Al6 Ru2
  • Reduced Formula: Sc2Al3Ru
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm