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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-53181
  • 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: 5
  • Element list: ['Mg', 'B', 'H', 'O', 'F']
  • Chemical System: B-F-H-Mg-O
  • Density: 2.7816737002777105
  • Atomic Density: 0.10881375077351857
  • Unit Cell Volume: 220.5603595997056
  • Molar Volume: 5.534356381606852
  • Full Formula: Mg6 B2 H4 O10 F2
  • Reduced Formula: Mg3BH2O5F
  • Formula Anonymous: ABC2D3E5
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m