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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9375
  • 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: 13
  • Number of elements: 3
  • Element list: ['P', 'Pd', 'S']
  • Chemical System: P-Pd-S
  • Density: 3.4842906957123074
  • Atomic Density: 0.042773370611593385
  • Unit Cell Volume: 303.9274159160245
  • Molar Volume: 14.079182149764337
  • Full Formula: P2 Pd3 S8
  • Reduced Formula: P2Pd3S8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1