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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107734
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Tl', 'Fe', 'Cu', 'S']
  • Chemical System: Cu-Fe-S-Tl
  • Density: 6.626957222211834
  • Atomic Density: 0.050935520402621455
  • Unit Cell Volume: 196.32664829876438
  • Molar Volume: 11.823067109941737
  • Full Formula: Tl2 Fe1 Cu3 S4
  • Reduced Formula: Tl2FeCu3S4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2