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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107017
  • 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', 'Se', 'S']
  • Chemical System: S-Se-Zr
  • Density: 4.607867570712149
  • Atomic Density: 0.043061864745289516
  • Unit Cell Volume: 185.7792282642639
  • Molar Volume: 13.984858286144597
  • Full Formula: Zr2 Se3 S3
  • Reduced Formula: Zr2(SeS)3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m