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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113110
  • 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: 14
  • Number of elements: 4
  • Element list: ['Cr', 'Fe', 'Se', 'S']
  • Chemical System: Cr-Fe-S-Se
  • Density: 4.53341904439461
  • Atomic Density: 0.05704795912618427
  • Unit Cell Volume: 245.40755207444718
  • Molar Volume: 10.55627730113822
  • Full Formula: Cr4 Fe2 Se2 S6
  • Reduced Formula: Cr2FeSeS3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2