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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34397
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Mo', 'S', 'Br']
  • Chemical System: Br-Mo-S
  • Density: 5.5101199577598985
  • Atomic Density: 0.04788063720413632
  • Unit Cell Volume: 250.62323103259246
  • Molar Volume: 12.5774031250356
  • Full Formula: Mo4 S4 Br4
  • Reduced Formula: MoSBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m