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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-368
  • 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: 8
  • Number of elements: 2
  • Element list: ['Zr', 'S']
  • Chemical System: S-Zr
  • Density: 3.6757879183933966
  • Atomic Density: 0.04724411560433509
  • Unit Cell Volume: 169.333257648407
  • Molar Volume: 12.74685891135067
  • Full Formula: Zr2 S6
  • Reduced Formula: ZrS3
  • Formula Anonymous: AB3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m