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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49226
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Cr', 'Sb', 'Se']
  • Chemical System: Cr-Sb-Se
  • Density: 5.720222323483819
  • Atomic Density: 0.041944661005715644
  • Unit Cell Volume: 476.818730213952
  • Molar Volume: 14.35734755176442
  • Full Formula: Cr4 Sb4 Se12
  • Reduced Formula: CrSbSe3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm