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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59085
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ba', 'Pd', 'Cl']
  • Chemical System: Ba-Cl-Pd
  • Density: 3.9424312342456025
  • Atomic Density: 0.036946681318478725
  • Unit Cell Volume: 649.5847297656069
  • Molar Volume: 16.29954449247936
  • Full Formula: Ba4 Pd4 Cl16
  • Reduced Formula: BaPdCl4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm