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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-122058
  • 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: 24
  • Number of elements: 2
  • Element list: ['Sc', 'Fe']
  • Chemical System: Fe-Sc
  • Density: 6.336728344820073
  • Atomic Density: 0.07308330535349522
  • Unit Cell Volume: 328.39237201868286
  • Molar Volume: 8.240104536694973
  • Full Formula: Sc8 Fe16
  • Reduced Formula: ScFe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm