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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1376108
  • Created at: Sept. 4, 2022, 3:49 p.m.
  • Last updated at: Sept. 4, 2022, 3:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Te', 'Zn', 'Zr']
  • Chemical System: Te-Zn-Zr
  • Density: 7.297373605970761
  • Atomic Density: 0.04556840052835382
  • Unit Cell Volume: 197.5052864627094
  • Molar Volume: 13.215607065806205
  • Full Formula: Zr6 Zn1 Te2
  • Reduced Formula: Zr6ZnTe2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m