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  1. Third-Parties
  2. MatprojStructure
  3. mp-631269

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-631269
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Li', 'Ir', 'Rh']
  • Chemical System: Ir-Li-Rh
  • Density: 11.895770311952282
  • Atomic Density: 0.07114861937171718
  • Unit Cell Volume: 42.16525951580942
  • Molar Volume: 8.464170932871125
  • Full Formula: Li1 Ir1 Rh1
  • Reduced Formula: LiIrRh
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -16.31629858
  • Final energy per atom: -5.4387661933333336
  • 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.