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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-3987
  • Created at: Sept. 4, 2022, 3:18 p.m.
  • Last updated at: Sept. 4, 2022, 3:18 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Ge', 'Nb', 'Zr']
  • Chemical System: Ge-Nb-Zr
  • Density: 7.713865930536358
  • Atomic Density: 0.05561670662597157
  • Unit Cell Volume: 647.2875181571598
  • Molar Volume: 10.827934851481867
  • Full Formula: Zr8 Nb12 Ge16
  • Reduced Formula: Zr2Nb3Ge4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm