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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-13349
  • Created at: Sept. 4, 2022, 3 p.m.
  • Last updated at: Sept. 4, 2022, 3 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['B', 'Ca', 'Cl', 'H', 'O']
  • Chemical System: B-Ca-Cl-H-O
  • Density: 2.7265772902147107
  • Atomic Density: 0.09901191037634136
  • Unit Cell Volume: 201.99590053338622
  • Molar Volume: 6.082238729775054
  • Full Formula: Ca2 B5 H2 Cl1 O10
  • Reduced Formula: Ca2B5H2ClO10
  • Formula Anonymous: AB2C2D5E10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1