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  1. Third-Parties
  2. MatprojStructure
  3. mp-867049

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-867049
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 168
  • Number of elements: 3
  • Element list: ['Ti', 'Si', 'Ni']
  • Chemical System: Ni-Si-Ti
  • Density: 6.3294622454457
  • Atomic Density: 0.08336647195407487
  • Unit Cell Volume: 2015.1986291629116
  • Molar Volume: 7.223696312010771
  • Full Formula: Ti26 Si62 Ni80
  • Reduced Formula: Ti13Si31Ni40
  • Formula Anonymous: A13B31C40
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -1121.69496589
  • Final energy per atom: -6.676755749345238
  • 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.