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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1260300
  • Created at: Sept. 4, 2022, 3:41 p.m.
  • Last updated at: Sept. 4, 2022, 3:41 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Pt', 'Te', 'Zr']
  • Chemical System: Pt-Te-Zr
  • Density: 8.393140994604124
  • Atomic Density: 0.045598368184282756
  • Unit Cell Volume: 197.3754842196787
  • Molar Volume: 13.2069216504896
  • Full Formula: Zr6 Te2 Pt1
  • Reduced Formula: Zr6Te2Pt
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m