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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59024
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'N']
  • Chemical System: Al-Ca-N
  • Density: 3.0565223707496734
  • Atomic Density: 0.06808847248170043
  • Unit Cell Volume: 411.22966897994854
  • Molar Volume: 8.844581968876629
  • Full Formula: Ca12 Al4 N12
  • Reduced Formula: Ca3AlN3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m