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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16029
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Zr', 'Cu', 'P']
  • Chemical System: Cu-P-Zr
  • Density: 5.9060747702981935
  • Atomic Density: 0.06345316206420007
  • Unit Cell Volume: 78.79827950798015
  • Molar Volume: 9.490686616857602
  • Full Formula: Zr1 Cu2 P2
  • Reduced Formula: Zr(CuP)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1