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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115543
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ba', 'H', 'Br']
  • Chemical System: Ba-Br-H
  • Density: 4.741025156337644
  • Atomic Density: 0.039247515839335945
  • Unit Cell Volume: 152.87591766474253
  • Molar Volume: 15.344004916520834
  • Full Formula: Ba2 H2 Br2
  • Reduced Formula: BaHBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm