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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-54711
  • 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: ['H', 'Br', 'O']
  • Chemical System: Br-H-O
  • Density: 2.5288234533018796
  • Atomic Density: 0.0769703767994087
  • Unit Cell Volume: 64.96005616589902
  • Molar Volume: 7.823972040170997
  • Full Formula: H3 Br1 O1
  • Reduced Formula: H3BrO
  • Formula Anonymous: ABC3
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m