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  1. Third-Parties
  2. MatprojStructure
  3. mp-8648

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-8648
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ti', 'Fe', 'Si']
  • Chemical System: Fe-Si-Ti
  • Density: 5.624878094273137
  • Atomic Density: 0.07710421135437193
  • Unit Cell Volume: 233.45028350360494
  • Molar Volume: 7.810391487336749
  • Full Formula: Ti6 Fe6 Si6
  • Reduced Formula: TiFeSi
  • Formula Anonymous: ABC
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -143.56262132
  • Final energy per atom: -7.9757011844444445
  • 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.