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  1. Third-Parties
  2. MatprojStructure
  3. mp-999135

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-999135
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ta', 'Cu', 'N']
  • Chemical System: Cu-N-Ta
  • Density: 10.42712431254258
  • Atomic Density: 0.09217164452098275
  • Unit Cell Volume: 43.3972944801848
  • Molar Volume: 6.533615399071097
  • Full Formula: Ta1 Cu1 N2
  • Reduced Formula: TaCuN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -34.46883194
  • Final energy per atom: -8.617207985
  • 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.