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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-686496
  • 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: 50
  • Number of elements: 4
  • Element list: ['Br', 'C', 'Cs', 'Zr']
  • Chemical System: Br-C-Cs-Zr
  • Density: 3.8328367172624747
  • Atomic Density: 0.02675687407034907
  • Unit Cell Volume: 1868.6786755635278
  • Molar Volume: 22.506892038907875
  • Full Formula: Cs6 Zr12 C2 Br30
  • Reduced Formula: Cs3Zr6CBr15
  • Formula Anonymous: AB3C6D15
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m