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  1. Third-Parties
  2. MatprojStructure
  3. mp-505538

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-505538
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ti', 'Al', 'Ni', 'C']
  • Chemical System: Al-C-Ni-Ti
  • Density: 4.739013788872092
  • Atomic Density: 0.07446766845598785
  • Unit Cell Volume: 376.002103739137
  • Molar Volume: 8.086919981332878
  • Full Formula: Ti12 Al8 Ni4 C4
  • Reduced Formula: Ti3Al2NiC
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -203.75860114
  • Final energy per atom: -7.277092897857143
  • 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.