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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51175
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ca', 'Zr', 'Pd']
  • Chemical System: Ca-Pd-Zr
  • Density: 5.606032431134168
  • Atomic Density: 0.042604785947975114
  • Unit Cell Volume: 70.41462439603177
  • Molar Volume: 14.134892655847777
  • Full Formula: Ca1 Zr1 Pd1
  • Reduced Formula: CaZrPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m