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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56732
  • 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: 15
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'Si']
  • Chemical System: Al-Ca-Si
  • Density: 2.362382518779123
  • Atomic Density: 0.044857620338285185
  • Unit Cell Volume: 334.39134503525514
  • Molar Volume: 13.425011658186891
  • Full Formula: Ca5 Al5 Si5
  • Reduced Formula: CaAlSi
  • Formula Anonymous: ABC
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1