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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88635
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'Si', 'O']
  • Chemical System: Al-Ca-O-Si
  • Density: 3.3578030892837765
  • Atomic Density: 0.09270533125208852
  • Unit Cell Volume: 431.47464616927147
  • Molar Volume: 6.496002634006369
  • Full Formula: Ca4 Al8 Si4 O24
  • Reduced Formula: CaAl2SiO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m