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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92268
  • 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: ['Ca', 'Zn', 'N']
  • Chemical System: Ca-N-Zn
  • Density: 5.261526270681918
  • Atomic Density: 0.07964845257547973
  • Unit Cell Volume: 62.77585864284928
  • Molar Volume: 7.560901141542018
  • Full Formula: Ca1 Zn2 N2
  • Reduced Formula: Ca(ZnN)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1