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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-107127
  • 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: 56
  • Number of elements: 4
  • Element list: ['B', 'Br', 'Cs', 'Zr']
  • Chemical System: B-Br-Cs-Zr
  • Density: 4.105227963338502
  • Atomic Density: 0.028275422932885246
  • Unit Cell Volume: 1980.518563167809
  • Molar Volume: 21.2981456521241
  • Full Formula: Cs8 Zr12 B2 Br34
  • Reduced Formula: Cs4Zr6BBr17
  • Formula Anonymous: AB4C6D17
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m