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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198195

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-1198195
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 2
  • Element list: ['Tm', 'Ir']
  • Chemical System: Ir-Tm
  • Density: 12.973093337652838
  • Atomic Density: 0.043973591600277896
  • Unit Cell Volume: 727.7094918896225
  • Molar Volume: 13.69490310171058
  • Full Formula: Tm20 Ir12
  • Reduced Formula: Tm5Ir3
  • Formula Anonymous: A3B5
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -223.84115741
  • Final energy per atom: -6.9950361690625
  • 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.