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  1. Third-Parties
  2. MatprojStructure
  3. mp-652425

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-652425
  • 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: 24
  • Number of elements: 3
  • Element list: ['Li', 'Fe', 'Ge']
  • Chemical System: Fe-Ge-Li
  • Density: 7.393880241960536
  • Atomic Density: 0.0757679405370423
  • Unit Cell Volume: 316.75666290898596
  • Molar Volume: 7.9481383779407695
  • Full Formula: Li2 Fe12 Ge10
  • Reduced Formula: LiFe6Ge5
  • Formula Anonymous: AB5C6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -155.96194793
  • Final energy per atom: -6.498414497083334
  • 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.