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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216867

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-1216867
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ti', 'Mn', 'Si']
  • Chemical System: Mn-Si-Ti
  • Density: 4.636138828287938
  • Atomic Density: 0.07786157774046994
  • Unit Cell Volume: 231.1794921494916
  • Molar Volume: 7.734419125275298
  • Full Formula: Ti3 Mn3 Si12
  • Reduced Formula: TiMnSi4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -122.65890993
  • Final energy per atom: -6.814383885
  • 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.