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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112316
  • 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: 14
  • Number of elements: 3
  • Element list: ['Zr', 'Si', 'Pd']
  • Chemical System: Pd-Si-Zr
  • Density: 7.593830812213514
  • Atomic Density: 0.06470418866497694
  • Unit Cell Volume: 216.3692998684939
  • Molar Volume: 9.307188428219426
  • Full Formula: Zr2 Si6 Pd6
  • Reduced Formula: Zr(SiPd)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm