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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-645007
  • 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: 48
  • Number of elements: 3
  • Element list: ['Al', 'As', 'K']
  • Chemical System: Al-As-K
  • Density: 2.5044443838401054
  • Atomic Density: 0.030767309552151692
  • Unit Cell Volume: 1560.097411788258
  • Molar Volume: 19.573179610626195
  • Full Formula: K24 Al8 As16
  • Reduced Formula: K3AlAs2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1