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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86687
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 15
  • Number of elements: 2
  • Element list: ['Ca', 'N']
  • Chemical System: Ca-N
  • Density: 2.867597180761956
  • Atomic Density: 0.05824410367903749
  • Unit Cell Volume: 257.53679862016
  • Molar Volume: 10.33948568113585
  • Full Formula: Ca9 N6
  • Reduced Formula: Ca3N2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m