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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88522
  • 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: 22
  • Number of elements: 5
  • Element list: ['Ba', 'Al', 'P', 'H', 'O']
  • Chemical System: Al-Ba-H-O-P
  • Density: 3.206050384844031
  • Atomic Density: 0.08390714572470069
  • Unit Cell Volume: 262.1945939167326
  • Molar Volume: 7.177148868534561
  • Full Formula: Ba1 Al3 P2 H2 O14
  • Reduced Formula: BaAl3P2(HO7)2
  • Formula Anonymous: AB2C2D3E14
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m