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  1. Third-Parties
  2. MatprojStructure
  3. mp-1551

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1551
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 2
  • Element list: ['Te', 'Ir']
  • Chemical System: Ir-Te
  • Density: 10.041487750812838
  • Atomic Density: 0.04054690771435258
  • Unit Cell Volume: 221.96513883139423
  • Molar Volume: 14.852281220617757
  • Full Formula: Te6 Ir3
  • Reduced Formula: Te2Ir
  • Formula Anonymous: AB2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -50.54749506
  • Final energy per atom: -5.61638834
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.