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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-93163
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['C', 'H', 'Na', 'O']
  • Chemical System: C-H-Na-O
  • Density: 1.8062946841955028
  • Atomic Density: 0.09539168508499371
  • Unit Cell Volume: 628.985639016023
  • Molar Volume: 6.313066756955065
  • Full Formula: Na6 H18 C12 O24
  • Reduced Formula: NaH3(CO2)2
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1