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Entry Data

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

Base Information:

  • Database Entry ID: 231
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Ti', 'O']
  • Chemical System: Ca-O-Ti
  • Density: 4.1302015509437355
  • Atomic Density: 0.09148179208503605
  • Unit Cell Volume: 54.655684875
  • Molar Volume: 6.58288455302906
  • Full Formula: Ca1 Ti1 O3
  • Reduced Formula: CaTiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m