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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-5904
  • 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: 3
  • Element list: ['P', 'Ru', 'Zr']
  • Chemical System: P-Ru-Zr
  • Density: 8.00223613119517
  • Atomic Density: 0.06475264314263443
  • Unit Cell Volume: 185.3206204041262
  • Molar Volume: 9.300223848368134
  • Full Formula: Zr4 P4 Ru4
  • Reduced Formula: ZrPRu
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm