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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-67920
  • 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: 4
  • Number of elements: 3
  • Element list: ['Sc', 'Be', 'Ru']
  • Chemical System: Be-Ru-Sc
  • Density: 5.245662161279944
  • Atomic Density: 0.06318212541939985
  • Unit Cell Volume: 63.309044661732976
  • Molar Volume: 9.531399458352064
  • Full Formula: Sc2 Be1 Ru1
  • Reduced Formula: Sc2BeRu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2