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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98982
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ba', 'Zn', 'O']
  • Chemical System: Ba-O-Zn
  • Density: 6.0056168928875575
  • Atomic Density: 0.05591902044126207
  • Unit Cell Volume: 429.1920675758234
  • Molar Volume: 10.76939601673767
  • Full Formula: Ba8 Zn4 O12
  • Reduced Formula: Ba2ZnO3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m