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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100444
  • 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: 8
  • Number of elements: 3
  • Element list: ['Sc', 'Al', 'N']
  • Chemical System: Al-N-Sc
  • Density: 4.103727219310011
  • Atomic Density: 0.09890150134997905
  • Unit Cell Volume: 80.88855973672936
  • Molar Volume: 6.089028657603159
  • Full Formula: Sc2 Al2 N4
  • Reduced Formula: ScAlN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm