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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71941
  • 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', 'Ni']
  • Chemical System: Be-Ni-Sc
  • Density: 5.726636969117127
  • Atomic Density: 0.08050336495521616
  • Unit Cell Volume: 49.68736402789114
  • Molar Volume: 7.480607504233025
  • Full Formula: Sc1 Be1 Ni2
  • Reduced Formula: ScBeNi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2