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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56267
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Ca', 'Zn', 'Cu', 'P']
  • Chemical System: Ca-Cu-P-Zn
  • Density: 4.013098611460859
  • Atomic Density: 0.05295243330029292
  • Unit Cell Volume: 207.7336075873807
  • Molar Volume: 11.372736595216459
  • Full Formula: Ca3 Zn2 Cu2 P4
  • Reduced Formula: Ca3Zn2(CuP2)2
  • Formula Anonymous: A2B2C3D4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1