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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34327
  • 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: 7
  • Number of elements: 3
  • Element list: ['Tl', 'Ni', 'S']
  • Chemical System: Ni-S-Tl
  • Density: 8.685022510297731
  • Atomic Density: 0.0564144968744634
  • Unit Cell Volume: 124.08158164694404
  • Molar Volume: 10.674810720018998
  • Full Formula: Tl2 Ni3 S2
  • Reduced Formula: Tl2Ni3S2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m