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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104689
  • 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: 8
  • Number of elements: 4
  • Element list: ['Ta', 'Cu', 'Se', 'S']
  • Chemical System: Cu-S-Se-Ta
  • Density: 5.977874305203091
  • Atomic Density: 0.04496220450631315
  • Unit Cell Volume: 177.92721882390617
  • Molar Volume: 13.393784459911057
  • Full Formula: Ta1 Cu3 Se3 S1
  • Reduced Formula: TaCu3Se3S
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m