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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12973
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ba', 'Pd', 'S']
  • Chemical System: Ba-Pd-S
  • Density: 5.034220448851479
  • Atomic Density: 0.04435733961342394
  • Unit Cell Volume: 315.6185677953318
  • Molar Volume: 13.576424583807794
  • Full Formula: Ba2 Pd4 S8
  • Reduced Formula: Ba(PdS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m