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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88664
  • 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: 24
  • Number of elements: 3
  • Element list: ['Nb', 'Te', 'Ir']
  • Chemical System: Ir-Nb-Te
  • Density: 8.114259533554598
  • Atomic Density: 0.03685514290563617
  • Unit Cell Volume: 651.1981261733144
  • Molar Volume: 16.34002824359975
  • Full Formula: Nb4 Te16 Ir4
  • Reduced Formula: NbTe4Ir
  • Formula Anonymous: ABC4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2