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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-15505
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Zr', 'C', 'S']
  • Chemical System: C-S-Zr
  • Density: 6.031038024456555
  • Atomic Density: 0.0641341456540592
  • Unit Cell Volume: 124.73854478630078
  • Molar Volume: 9.389913436258341
  • Full Formula: Zr4 C2 S2
  • Reduced Formula: Zr2CS
  • Formula Anonymous: ABC2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm