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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118363
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'N']
  • Chemical System: Al-Ca-N
  • Density: 3.502070870803258
  • Atomic Density: 0.08873172136392231
  • Unit Cell Volume: 45.07970699220957
  • Molar Volume: 6.786908523166057
  • Full Formula: Ca1 Al1 N2
  • Reduced Formula: CaAlN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m