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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117136
  • 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: 24
  • Number of elements: 3
  • Element list: ['Na', 'B', 'H']
  • Chemical System: B-H-Na
  • Density: 1.1575288178177867
  • Atomic Density: 0.11055250510172712
  • Unit Cell Volume: 217.09141713175939
  • Molar Volume: 5.447312798980543
  • Full Formula: Na4 B4 H16
  • Reduced Formula: NaBH4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm