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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-3732
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['C', 'H', 'Na', 'O']
  • Chemical System: C-H-Na-O
  • Density: 1.7233085388421756
  • Atomic Density: 0.07412278643086255
  • Unit Cell Volume: 323.7870721763248
  • Molar Volume: 8.124547187142115
  • Full Formula: Na4 H4 C4 O12
  • Reduced Formula: NaHCO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1