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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-758436
  • Created at: Sept. 4, 2022, 3:21 p.m.
  • Last updated at: Sept. 4, 2022, 3:21 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Zn', 'Zr']
  • Chemical System: Zn-Zr
  • Density: 6.6002892702465825
  • Atomic Density: 0.048109842839877764
  • Unit Cell Volume: 124.7146040358016
  • Molar Volume: 12.51748167218769
  • Full Formula: Zr4 Zn2
  • Reduced Formula: Zr2Zn
  • Formula Anonymous: AB2
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m