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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1212776
  • Created at: Sept. 4, 2022, 3:38 p.m.
  • Last updated at: Sept. 4, 2022, 3:38 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Te', 'Zn', 'Zr']
  • Chemical System: Te-Zn-Zr
  • Density: 7.4438376583772135
  • Atomic Density: 0.04696552083516111
  • Unit Cell Volume: 106.46107849094075
  • Molar Volume: 12.822472002677074
  • Full Formula: Zr1 Zn2 Te2
  • Reduced Formula: Zr(ZnTe)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm