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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-31202
  • 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: 12
  • Number of elements: 3
  • Element list: ['Na', 'B', 'H']
  • Chemical System: B-H-Na
  • Density: 1.1649051564285575
  • Atomic Density: 0.11125699962432284
  • Unit Cell Volume: 107.85838230870804
  • Molar Volume: 5.412819670074446
  • Full Formula: Na2 B2 H8
  • Reduced Formula: NaBH4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm