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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-4534
  • 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: 24
  • Number of elements: 3
  • Element list: ['P', 'Pd', 'S']
  • Chemical System: P-Pd-S
  • Density: 5.021775302996859
  • Atomic Density: 0.053538402015806646
  • Unit Cell Volume: 448.27636045084523
  • Molar Volume: 11.24826392506453
  • Full Formula: P8 Pd8 S8
  • Reduced Formula: PPdS
  • Formula Anonymous: ABC
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm