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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217228

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-1217228
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ti', 'Al', 'Ni']
  • Chemical System: Al-Ni-Ti
  • Density: 3.6505265677292824
  • Atomic Density: 0.06430906007373742
  • Unit Cell Volume: 248.7985360329359
  • Molar Volume: 9.3643737804517
  • Full Formula: Ti4 Al11 Ni1
  • Reduced Formula: Ti4Al11Ni
  • Formula Anonymous: AB4C11
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -84.88755215
  • Final energy per atom: -5.305472009375
  • 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.