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  1. Third-Parties
  2. MatprojStructure
  3. mp-866085

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-866085
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Tm', 'Ir', 'Rh']
  • Chemical System: Ir-Rh-Tm
  • Density: 13.58792604282224
  • Atomic Density: 0.051709053453483006
  • Unit Cell Volume: 77.35589288244009
  • Molar Volume: 11.646201888838409
  • Full Formula: Tm2 Ir1 Rh1
  • Reduced Formula: Tm2IrRh
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -29.06270584
  • Final energy per atom: -7.26567646
  • 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.