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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1475514
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['P', 'Zn', 'Zr']
  • Chemical System: P-Zn-Zr
  • Density: 5.506608854388295
  • Atomic Density: 0.05838520586211587
  • Unit Cell Volume: 85.6381325743398
  • Molar Volume: 10.314497775724313
  • Full Formula: Zr1 Zn2 P2
  • Reduced Formula: Zr(ZnP)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1