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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58482
  • 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: ['Ca', 'Fe', 'S']
  • Chemical System: Ca-Fe-S
  • Density: 3.6481154407628233
  • Atomic Density: 0.054918169934494894
  • Unit Cell Volume: 254.9247365070408
  • Molar Volume: 10.965661760366505
  • Full Formula: Ca2 Fe4 S8
  • Reduced Formula: Ca(FeS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm