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  1. Third-Parties
  2. MatprojStructure
  3. mp-866141

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-866141
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Fe', 'Si']
  • Chemical System: Fe-Si-Ti
  • Density: 6.758127762095237
  • Atomic Density: 0.08675731067634637
  • Unit Cell Volume: 46.105624630554225
  • Molar Volume: 6.941364033823013
  • Full Formula: Ti1 Fe2 Si1
  • Reduced Formula: TiFe2Si
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -32.96028092
  • Final energy per atom: -8.24007023
  • 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.