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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-4607
  • 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: 12
  • Number of elements: 2
  • Element list: ['P', 'Zr']
  • Chemical System: P-Zr
  • Density: 5.041731244952216
  • Atomic Density: 0.05946669677651979
  • Unit Cell Volume: 201.7936197986056
  • Molar Volume: 10.126913190809383
  • Full Formula: Zr4 P8
  • Reduced Formula: ZrP2
  • Formula Anonymous: AB2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm