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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1732195
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['C', 'Ga', 'Sc']
  • Chemical System: C-Ga-Sc
  • Density: 5.626631664313262
  • Atomic Density: 0.08174559479270511
  • Unit Cell Volume: 171.2630513668896
  • Molar Volume: 7.366930016560854
  • Full Formula: Sc2 Ga6 C6
  • Reduced Formula: Sc(GaC)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm