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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116709
  • 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: 28
  • Number of elements: 4
  • Element list: ['Cr', 'Fe', 'Cu', 'S']
  • Chemical System: Cr-Cu-Fe-S
  • Density: 4.176544439615086
  • Atomic Density: 0.06070639345372918
  • Unit Cell Volume: 461.23642679155023
  • Molar Volume: 9.920109592064822
  • Full Formula: Cr8 Fe3 Cu1 S16
  • Reduced Formula: Cr8Fe3CuS16
  • Formula Anonymous: AB3C8D16
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2