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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85667
  • 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: 16
  • Number of elements: 4
  • Element list: ['Ba', 'H', 'I', 'O']
  • Chemical System: Ba-H-I-O
  • Density: 4.653259086255101
  • Atomic Density: 0.039855923469255476
  • Unit Cell Volume: 401.445973578865
  • Molar Volume: 15.109776002669788
  • Full Formula: Ba4 H4 I4 O4
  • Reduced Formula: BaHIO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm