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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10786
  • 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: 10
  • Number of elements: 3
  • Element list: ['Zr', 'S', 'N']
  • Chemical System: N-S-Zr
  • Density: 5.475720876651815
  • Atomic Density: 0.06798344817938064
  • Unit Cell Volume: 147.09462770429167
  • Molar Volume: 8.8582455307504
  • Full Formula: Zr4 S2 N4
  • Reduced Formula: Zr2SN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm