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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23807
  • 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: 28
  • Number of elements: 3
  • Element list: ['Zr', 'Pd', 'O']
  • Chemical System: O-Pd-Zr
  • Density: 8.01652114613533
  • Atomic Density: 0.056916992207233716
  • Unit Cell Volume: 491.9444776360022
  • Molar Volume: 10.580567465816705
  • Full Formula: Zr16 Pd8 O4
  • Reduced Formula: Zr4Pd2O
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m