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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111392
  • 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: 9
  • Number of elements: 3
  • Element list: ['Zr', 'S', 'N']
  • Chemical System: N-S-Zr
  • Density: 5.293695062601613
  • Atomic Density: 0.05866117568492265
  • Unit Cell Volume: 153.42345077330626
  • Molar Volume: 10.265973516019791
  • Full Formula: Zr4 S3 N2
  • Reduced Formula: Zr4S3N2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m