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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1443514
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Se', 'Zr']
  • Chemical System: Se-Zr
  • Density: 9.397748511746315
  • Atomic Density: 0.06814681194535051
  • Unit Cell Volume: 352.1808183667712
  • Molar Volume: 8.837010254902873
  • Full Formula: Zr8 Se16
  • Reduced Formula: ZrSe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222