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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-28634
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Mo', 'W', 'Se', 'S']
  • Chemical System: Mo-S-Se-W
  • Density: 5.387708757799905
  • Atomic Density: 0.03902166694677322
  • Unit Cell Volume: 307.5214602279389
  • Molar Volume: 15.432812668444916
  • Full Formula: Mo1 W3 Se2 S6
  • Reduced Formula: MoW3(SeS3)2
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1