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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-31654
  • 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: 32
  • Number of elements: 3
  • Element list: ['Li', 'Ta', 'N']
  • Chemical System: Li-N-Ta
  • Density: 4.976069964366725
  • Atomic Density: 0.09561315239445854
  • Unit Cell Volume: 334.6819888123951
  • Molar Volume: 6.298443895203089
  • Full Formula: Li16 Ta4 N12
  • Reduced Formula: Li4TaN3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 73
  • Spacegroup Symbol: Ibca
  • Crystal System: orthorhombic
  • Pointgroup: mmm