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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29055
  • 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: 12
  • Number of elements: 3
  • Element list: ['Mo', 'W', 'S']
  • Chemical System: Mo-S-W
  • Density: 4.900667883536497
  • Atomic Density: 0.0433964981220473
  • Unit Cell Volume: 276.5200078184069
  • Molar Volume: 13.877020083656225
  • Full Formula: Mo2 W2 S8
  • Reduced Formula: MoWS4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1