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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55641
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Na', 'Br', 'O']
  • Chemical System: Br-Na-O
  • Density: 3.356262731465375
  • Atomic Density: 0.0669746928874178
  • Unit Cell Volume: 298.6202569621234
  • Molar Volume: 8.991666106066386
  • Full Formula: Na4 Br4 O12
  • Reduced Formula: NaBrO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23