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  1. Third-Parties
  2. MatprojStructure
  3. mp-999053

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-999053
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Ga', 'Ni']
  • Chemical System: Ga-Ni-Ti
  • Density: 6.375035159544758
  • Atomic Density: 0.06850999881150303
  • Unit Cell Volume: 58.3856381461269
  • Molar Volume: 8.790163281960043
  • Full Formula: Ti2 Ga1 Ni1
  • Reduced Formula: Ti2GaNi
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -25.65923811
  • Final energy per atom: -6.4148095275
  • 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.