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Table mix-ins: ['Structure'] Extra columns: ['mineral_name', 'aflow_id', 'pearson_symbol', 'strukturbericht_symbol', 'nsites_wyckoff']

Base Information:

  • Database Entry ID: 50
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: AFLOW Prototypes

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['Ca', 'B']
  • Chemical System: B-Ca
  • Density: 2.446995137563583
  • Atomic Density: 0.0982934175729453
  • Unit Cell Volume: 71.21534862499999
  • Molar Volume: 6.126697909888891
  • Full Formula: Ca1 B6
  • Reduced Formula: CaB6
  • Formula Anonymous: AB6
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m