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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86430
  • 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: 15
  • Number of elements: 3
  • Element list: ['Ba', 'Mo', 'S']
  • Chemical System: Ba-Mo-S
  • Density: 5.3747823124508125
  • Atomic Density: 0.050079623013701086
  • Unit Cell Volume: 299.5230214871268
  • Molar Volume: 12.025131975039882
  • Full Formula: Ba1 Mo6 S8
  • Reduced Formula: Ba(Mo3S4)2
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3