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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1258442
  • Created at: Sept. 4, 2022, 3:41 p.m.
  • Last updated at: Sept. 4, 2022, 3:41 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['O', 'P', 'Zr']
  • Chemical System: O-P-Zr
  • Density: 6.15759187190733
  • Atomic Density: 0.058615184072921475
  • Unit Cell Volume: 238.84596152735782
  • Molar Volume: 10.274028573394952
  • Full Formula: Zr8 P4 O2
  • Reduced Formula: Zr4P2O
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm