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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92846
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'Nb']
  • Chemical System: Ba-Mg-Nb
  • Density: 3.197201470819505
  • Atomic Density: 0.04095904749248993
  • Unit Cell Volume: 195.31704201536533
  • Molar Volume: 14.702833998042053
  • Full Formula: Ba1 Mg6 Nb1
  • Reduced Formula: BaMg6Nb
  • Formula Anonymous: ABC6
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2