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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1270262
  • 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: 22
  • Number of elements: 3
  • Element list: ['O', 'P', 'Zr']
  • Chemical System: O-P-Zr
  • Density: 4.464551685477913
  • Atomic Density: 0.05218421213972931
  • Unit Cell Volume: 421.5834463705696
  • Molar Volume: 11.540158436952186
  • Full Formula: Zr8 P12 O2
  • Reduced Formula: Zr4P6O
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm