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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-689010
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['H', 'Na', 'O', 'P']
  • Chemical System: H-Na-O-P
  • Density: 2.586462631877479
  • Atomic Density: 0.08988707210999645
  • Unit Cell Volume: 934.5059086718016
  • Molar Volume: 6.699673956039636
  • Full Formula: Na16 P12 H12 O44
  • Reduced Formula: Na4P3H3O11
  • Formula Anonymous: A3B3C4D11
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm