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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35132
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'Si', 'O']
  • Chemical System: Al-Ca-O-Si
  • Density: 3.3654977164619315
  • Atomic Density: 0.09291777163124261
  • Unit Cell Volume: 215.24407708971805
  • Molar Volume: 6.481150649952866
  • Full Formula: Ca2 Al4 Si2 O12
  • Reduced Formula: CaAl2SiO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2