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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-18813
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ba', 'Bi', 'Au']
  • Chemical System: Au-Ba-Bi
  • Density: 9.161381574763514
  • Atomic Density: 0.030465915486388214
  • Unit Cell Volume: 196.94139841885678
  • Molar Volume: 19.76681371249329
  • Full Formula: Ba2 Bi2 Au2
  • Reduced Formula: BaBiAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm