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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50619
  • 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: 14
  • Number of elements: 3
  • Element list: ['Li', 'Fe', 'S']
  • Chemical System: Fe-Li-S
  • Density: 2.9884883382746983
  • Atomic Density: 0.05680722653618302
  • Unit Cell Volume: 246.44751827626695
  • Molar Volume: 10.60101175008823
  • Full Formula: Li4 Fe4 S6
  • Reduced Formula: Li2Fe2S3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m