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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10239
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ba', 'Mn', 'S']
  • Chemical System: Ba-Mn-S
  • Density: 4.143962348481079
  • Atomic Density: 0.038932928013982994
  • Unit Cell Volume: 410.9631824827946
  • Molar Volume: 15.46798832555597
  • Full Formula: Ba4 Mn4 S8
  • Reduced Formula: BaMnS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm