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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95620
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Ca', 'B', 'H', 'O']
  • Chemical System: B-Ca-H-O
  • Density: 2.5595098949916673
  • Atomic Density: 0.11507038379871519
  • Unit Cell Volume: 486.65867055729126
  • Molar Volume: 5.23344110030442
  • Full Formula: Ca4 B12 H12 O28
  • Reduced Formula: CaB3H3O7
  • Formula Anonymous: AB3C3D7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m