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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-5191
  • 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: 12
  • Number of elements: 3
  • Element list: ['Sb', 'S', 'Br']
  • Chemical System: Br-S-Sb
  • Density: 4.752552275985762
  • Atomic Density: 0.03673554259651384
  • Unit Cell Volume: 326.6591195290739
  • Molar Volume: 16.393226652847897
  • Full Formula: Sb4 S4 Br4
  • Reduced Formula: SbSBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm