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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98030
  • 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: 14
  • Number of elements: 3
  • Element list: ['Mo', 'S', 'Br']
  • Chemical System: Br-Mo-S
  • Density: 5.542533245484967
  • Atomic Density: 0.05036340561170671
  • Unit Cell Volume: 277.979612974103
  • Molar Volume: 11.95737398385979
  • Full Formula: Mo6 S6 Br2
  • Reduced Formula: Mo3S3Br
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3