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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-14019
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['P', 'Sb', 'Zr']
  • Chemical System: P-Sb-Zr
  • Density: 6.519246526233292
  • Atomic Density: 0.046851976682055
  • Unit Cell Volume: 170.75053320139037
  • Molar Volume: 12.85354682229783
  • Full Formula: Zr4 Sb2 P2
  • Reduced Formula: Zr2SbP
  • Formula Anonymous: ABC2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm