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  1. Third-Parties
  2. MatprojStructure
  3. mp-20246

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-20246
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 3
  • Element list: ['Mn', 'Ge', 'Ir']
  • Chemical System: Ge-Ir-Mn
  • Density: 12.613076593234643
  • Atomic Density: 0.06452821305437331
  • Unit Cell Volume: 263.4506550750958
  • Molar Volume: 9.332570165743737
  • Full Formula: Mn4 Ge6 Ir7
  • Reduced Formula: Mn4Ge6Ir7
  • Formula Anonymous: A4B6C7
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -130.07452471
  • Final energy per atom: -7.651442629999999
  • 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.