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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-79475
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Zr', 'N']
  • Chemical System: Ca-N-Zr
  • Density: 4.946554121924979
  • Atomic Density: 0.07479212984930475
  • Unit Cell Volume: 53.48156294063851
  • Molar Volume: 8.051837502333115
  • Full Formula: Ca1 Zr1 N2
  • Reduced Formula: CaZrN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m