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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-322441
  • Created at: Sept. 4, 2022, 2:50 p.m.
  • Last updated at: Sept. 4, 2022, 2:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Te', 'Zr']
  • Chemical System: Te-Zr
  • Density: 7.527066039316746
  • Atomic Density: 0.04518536176383688
  • Unit Cell Volume: 177.04848844217122
  • Molar Volume: 13.327636484299852
  • Full Formula: Zr6 Te2
  • Reduced Formula: Zr3Te
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm