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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36580
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ti', 'Zn', 'N']
  • Chemical System: N-Ti-Zn
  • Density: 4.788311802551409
  • Atomic Density: 0.08163637948126039
  • Unit Cell Volume: 195.99105327389975
  • Molar Volume: 7.376785690725519
  • Full Formula: Ti4 Zn4 N8
  • Reduced Formula: TiZnN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2