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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1444831
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['As', 'Co', 'Ta']
  • Chemical System: As-Co-Ta
  • Density: 74.91718412597493
  • Atomic Density: 0.4299472629691318
  • Unit Cell Volume: 83.73119938336397
  • Molar Volume: 1.400669635250675
  • Full Formula: Ta12 Co12 As12
  • Reduced Formula: TaCoAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1