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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-64628
  • 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: 52
  • Number of elements: 4
  • Element list: ['Br', 'Cs', 'Er', 'Nb']
  • Chemical System: Br-Cs-Er-Nb
  • Density: 5.046090653225547
  • Atomic Density: 0.034413679567645204
  • Unit Cell Volume: 1511.0270291726947
  • Molar Volume: 17.499264349697295
  • Full Formula: Cs2 Er2 Nb12 Br36
  • Reduced Formula: CsEr(NbBr3)6
  • Formula Anonymous: ABC6D18
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m