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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-95536
  • 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: 3
  • Element list: ['Rb', 'S', 'Zr']
  • Chemical System: Rb-S-Zr
  • Density: 3.187000455556821
  • Atomic Density: 0.034411171330860156
  • Unit Cell Volume: 1627.378488850766
  • Molar Volume: 17.50053987438465
  • Full Formula: Rb16 Zr8 S32
  • Reduced Formula: Rb2ZrS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm