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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21627
  • 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: 12
  • Number of elements: 3
  • Element list: ['As', 'Pd', 'S']
  • Chemical System: As-Pd-S
  • Density: 6.452849632265753
  • Atomic Density: 0.05462806980015769
  • Unit Cell Volume: 219.6672890676683
  • Molar Volume: 11.023894459442563
  • Full Formula: As4 Pd4 S4
  • Reduced Formula: AsPdS
  • Formula Anonymous: ABC
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23