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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-54853
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'Pd']
  • Chemical System: Al-Ca-Pd
  • Density: 4.576180065002217
  • Atomic Density: 0.04765703331898225
  • Unit Cell Volume: 251.79913990198557
  • Molar Volume: 12.63641553113908
  • Full Formula: Ca4 Al4 Pd4
  • Reduced Formula: CaAlPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm