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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95696
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Ba', 'Er', 'Zr', 'Al', 'O']
  • Chemical System: Al-Ba-Er-O-Zr
  • Density: 5.8659542439891235
  • Atomic Density: 0.05911880723369233
  • Unit Cell Volume: 778.0941827558421
  • Molar Volume: 10.186505854549665
  • Full Formula: Ba10 Er4 Zr2 Al4 O26
  • Reduced Formula: Ba5Er2ZrAl2O13
  • Formula Anonymous: AB2C2D5E13
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm