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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112601
  • 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: 16
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'Si', 'O']
  • Chemical System: Al-Ca-O-Si
  • Density: 3.2505780458095925
  • Atomic Density: 0.08941514535960618
  • Unit Cell Volume: 178.9406026870711
  • Molar Volume: 6.7350343566298525
  • Full Formula: Ca2 Al2 Si2 O10
  • Reduced Formula: CaAlSiO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m