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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112375
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Bi', 'Te', 'Ir']
  • Chemical System: Bi-Ir-Te
  • Density: 12.059328752527591
  • Atomic Density: 0.041200831496486165
  • Unit Cell Volume: 291.2562578020647
  • Molar Volume: 14.61655151429068
  • Full Formula: Bi4 Te4 Ir4
  • Reduced Formula: BiTeIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23