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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29573
  • 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: 24
  • Number of elements: 4
  • Element list: ['Tl', 'Cu', 'P', 'Se']
  • Chemical System: Cu-P-Se-Tl
  • Density: 5.805450062632954
  • Atomic Density: 0.03915155958895355
  • Unit Cell Volume: 613.0024002101694
  • Molar Volume: 15.38161141784789
  • Full Formula: Tl4 Cu4 P4 Se12
  • Reduced Formula: TlCuPSe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m