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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190979

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-1190979
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Sc', 'Ir']
  • Chemical System: Ir-Sc
  • Density: 7.988091216555278
  • Atomic Density: 0.05115260012543745
  • Unit Cell Volume: 469.18436093466823
  • Molar Volume: 11.772892766413404
  • Full Formula: Sc16 Ir8
  • Reduced Formula: Sc2Ir
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -190.37377399
  • Final energy per atom: -7.932240582916666
  • 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.