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  1. Third-Parties
  2. MatprojStructure
  3. mp-861964

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-861964
  • 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: ['Li', 'Lu', 'Ir']
  • Chemical System: Ir-Li-Lu
  • Density: 11.58666667419002
  • Atomic Density: 0.0508304893717531
  • Unit Cell Volume: 78.69292720645792
  • Molar Volume: 11.847497111343081
  • Full Formula: Li1 Lu2 Ir1
  • Reduced Formula: LiLu2Ir
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -22.48067467
  • Final energy per atom: -5.6201686675
  • 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.