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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-31211
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Mg', 'Ta', 'N']
  • Chemical System: Mg-N-Ta
  • Density: 11.389321529042018
  • Atomic Density: 0.09610194715758412
  • Unit Cell Volume: 249.73479424559176
  • Molar Volume: 6.266408681735799
  • Full Formula: Mg4 Ta8 N12
  • Reduced Formula: MgTa2N3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm