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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8273
  • 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', 'Cu', 'N']
  • Chemical System: Ca-Cu-N
  • Density: 4.117072119887896
  • Atomic Density: 0.06351356681358312
  • Unit Cell Volume: 78.72333819127743
  • Molar Volume: 9.481660473699131
  • Full Formula: Ca1 Cu2 N2
  • Reduced Formula: Ca(CuN)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2