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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-78527
  • 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: 2
  • Element list: ['Ca', 'Pd']
  • Chemical System: Ca-Pd
  • Density: 6.372039735641777
  • Atomic Density: 0.045516713199071204
  • Unit Cell Volume: 65.90985572440711
  • Molar Volume: 13.230614288122378
  • Full Formula: Ca1 Pd2
  • Reduced Formula: CaPd2
  • Formula Anonymous: AB2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm