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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21532
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Zr', 'P', 'O']
  • Chemical System: O-P-Zr
  • Density: 2.85910711117021
  • Atomic Density: 0.0649323801198602
  • Unit Cell Volume: 616.0254702840565
  • Molar Volume: 9.274480234489465
  • Full Formula: Zr4 P8 O28
  • Reduced Formula: ZrP2O7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3