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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-645048
  • 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: 56
  • Number of elements: 3
  • Element list: ['As', 'Ga', 'K']
  • Chemical System: As-Ga-K
  • Density: 3.912655262584559
  • Atomic Density: 0.03728190921161623
  • Unit Cell Volume: 1502.068997650786
  • Molar Volume: 16.152983812652042
  • Full Formula: K16 Ga16 As24
  • Reduced Formula: K2Ga2As3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m