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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-15366
  • 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: 5
  • Number of elements: 3
  • Element list: ['Tl', 'Ni', 'Se']
  • Chemical System: Ni-Se-Tl
  • Density: 7.852929638624847
  • Atomic Density: 0.049293749942429174
  • Unit Cell Volume: 101.43273753446566
  • Molar Volume: 12.216844462093754
  • Full Formula: Tl1 Ni2 Se2
  • Reduced Formula: Tl(NiSe)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm