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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114009
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Zr', 'B', 'O']
  • Chemical System: B-O-Zr
  • Density: 6.1466007570833785
  • Atomic Density: 0.12335834657752585
  • Unit Cell Volume: 40.53232017711665
  • Molar Volume: 4.881826748719693
  • Full Formula: Zr1 B1 O3
  • Reduced Formula: ZrBO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m