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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52854
  • 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: 26
  • Number of elements: 4
  • Element list: ['Ca', 'B', 'H', 'O']
  • Chemical System: B-Ca-H-O
  • Density: 2.5334389423090857
  • Atomic Density: 0.12263630340900561
  • Unit Cell Volume: 212.0089995968578
  • Molar Volume: 4.910569376765618
  • Full Formula: Ca2 B4 H8 O12
  • Reduced Formula: CaB2(H2O3)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m