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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24661
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 21
  • Number of elements: 3
  • Element list: ['Hf', 'B', 'H']
  • Chemical System: B-H-Hf
  • Density: 2.076994866173103
  • Atomic Density: 0.1104287883255281
  • Unit Cell Volume: 190.16780242209157
  • Molar Volume: 5.453415591455736
  • Full Formula: Hf1 B4 H16
  • Reduced Formula: Hf(BH4)4
  • Formula Anonymous: AB4C16
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m