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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120988
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'As']
  • Chemical System: Al-As-Ca
  • Density: 3.43657227378609
  • Atomic Density: 0.04242897945166312
  • Unit Cell Volume: 117.84398457418025
  • Molar Volume: 14.193461256499644
  • Full Formula: Ca1 Al2 As2
  • Reduced Formula: Ca(AlAs)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m