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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079193

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-1079193
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ti', 'Cu', 'Ni']
  • Chemical System: Cu-Ni-Ti
  • Density: 7.837648331024276
  • Atomic Density: 0.08251654327166087
  • Unit Cell Volume: 96.95025606759131
  • Molar Volume: 7.298101109463487
  • Full Formula: Ti2 Cu2 Ni4
  • Reduced Formula: TiCuNi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -49.80030214
  • Final energy per atom: -6.2250377675
  • 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.