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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121795
  • 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: ['Ba', 'Si', 'Pd']
  • Chemical System: Ba-Pd-Si
  • Density: 5.92266895629122
  • Atomic Density: 0.03936300421251376
  • Unit Cell Volume: 304.8547802706868
  • Molar Volume: 15.298986651241224
  • Full Formula: Ba4 Si4 Pd4
  • Reduced Formula: BaSiPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23