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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-39359
  • 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: 5
  • Number of elements: 3
  • Element list: ['Pa', 'B', 'O']
  • Chemical System: B-O-Pa
  • Density: 10.158931284018388
  • Atomic Density: 0.10553657523644745
  • Unit Cell Volume: 47.37694006838713
  • Molar Volume: 5.706212037398227
  • Full Formula: Pa1 B1 O3
  • Reduced Formula: PaBO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m