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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118051
  • 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: 6
  • Number of elements: 3
  • Element list: ['Pd', 'H', 'Cl']
  • Chemical System: Cl-H-Pd
  • Density: 5.674290805302223
  • Atomic Density: 0.07174794193230946
  • Unit Cell Volume: 83.62609209976637
  • Molar Volume: 8.393468297225283
  • Full Formula: Pd2 H2 Cl2
  • Reduced Formula: HPdCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1