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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-3708
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ba', 'H', 'Cl']
  • Chemical System: Ba-Cl-H
  • Density: 4.113176593246154
  • Atomic Density: 0.04275923016952551
  • Unit Cell Volume: 140.32058052055854
  • Molar Volume: 14.08383812366196
  • Full Formula: Ba2 H2 Cl2
  • Reduced Formula: BaHCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm