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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216924

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-1216924
  • 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: 4
  • Element list: ['Ti', 'Cu', 'Ni', 'O']
  • Chemical System: Cu-Ni-O-Ti
  • Density: 5.4285711548477
  • Atomic Density: 0.08786593551208771
  • Unit Cell Volume: 91.0477985965271
  • Molar Volume: 6.853783237955208
  • Full Formula: Ti1 Cu2 Ni1 O4
  • Reduced Formula: TiCu2NiO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -54.95805904
  • Final energy per atom: -6.86975738
  • 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.