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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65419
  • 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: ['Ba', 'Sc', 'Ni']
  • Chemical System: Ba-Ni-Sc
  • Density: 4.7330141051886185
  • Atomic Density: 0.03987361308442282
  • Unit Cell Volume: 100.31696880668824
  • Molar Volume: 15.103072669260145
  • Full Formula: Ba1 Sc2 Ni1
  • Reduced Formula: BaSc2Ni
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm