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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197262

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-1197262
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Sm', 'Ge', 'Ir']
  • Chemical System: Ge-Ir-Sm
  • Density: 13.84611432886732
  • Atomic Density: 0.05775046242160051
  • Unit Cell Volume: 900.4256904538715
  • Molar Volume: 10.42786586891039
  • Full Formula: Sm8 Ge18 Ir26
  • Reduced Formula: Sm4Ge9Ir13
  • Formula Anonymous: A4B9C13
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -385.68519453
  • Final energy per atom: -7.417022971730769
  • 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.