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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1535524
  • Created at: Sept. 4, 2022, 3:55 p.m.
  • Last updated at: Sept. 4, 2022, 3:55 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['P', 'Zn', 'Zr']
  • Chemical System: P-Zn-Zr
  • Density: 4.897946537358743
  • Atomic Density: 0.059097609513951974
  • Unit Cell Volume: 169.21158202920483
  • Molar Volume: 10.19015965202158
  • Full Formula: Zr2 Zn2 P6
  • Reduced Formula: ZrZnP3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm