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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119681
  • 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: ['Mg', 'Cr', 'Fe', 'S']
  • Chemical System: Cr-Fe-Mg-S
  • Density: 3.343838424930326
  • Atomic Density: 0.054533642819172036
  • Unit Cell Volume: 256.7222594394173
  • Molar Volume: 11.042982732638642
  • Full Formula: Mg2 Cr3 Fe1 S8
  • Reduced Formula: Mg2Cr3FeS8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m