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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52774
  • 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: 24
  • Number of elements: 5
  • Element list: ['Na', 'B', 'H', 'Cl', 'O']
  • Chemical System: B-Cl-H-Na-O
  • Density: 2.1114109211091723
  • Atomic Density: 0.09520172571475427
  • Unit Cell Volume: 252.09627052254686
  • Molar Volume: 6.325663442324233
  • Full Formula: Na4 B2 H8 Cl2 O8
  • Reduced Formula: Na2BH4ClO4
  • Formula Anonymous: ABC2D4E4
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm