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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: 14
  • 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: 6
  • Number of elements: 2
  • Element list: ['Ca', 'Cl']
  • Chemical System: Ca-Cl
  • Density: 2.187230802551171
  • Atomic Density: 0.03560462347398584
  • Unit Cell Volume: 168.51744
  • Molar Volume: 16.913929069914243
  • Full Formula: Ca2 Cl4
  • Reduced Formula: CaCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm