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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50194
  • 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: 15
  • Number of elements: 3
  • Element list: ['Ba', 'Zr', 'O']
  • Chemical System: Ba-O-Zr
  • Density: 5.411774047632483
  • Atomic Density: 0.04686213443180389
  • Unit Cell Volume: 320.0878530581817
  • Molar Volume: 12.850760711217111
  • Full Formula: Ba6 Zr1 O8
  • Reduced Formula: Ba6ZrO8
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m