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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-645634
  • 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: 54
  • Number of elements: 4
  • Element list: ['Br', 'Nb', 'Rb', 'S']
  • Chemical System: Br-Nb-Rb-S
  • Density: 4.447737102173395
  • Atomic Density: 0.03280862756879793
  • Unit Cell Volume: 1645.9085308205865
  • Molar Volume: 18.355357130900686
  • Full Formula: Rb6 Nb12 S2 Br34
  • Reduced Formula: Rb3Nb6SBr17
  • Formula Anonymous: AB3C6D17
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m