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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079438

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-1079438
  • 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: 9
  • Number of elements: 2
  • Element list: ['Ta', 'N']
  • Chemical System: N-Ta
  • Density: 15.393041119312274
  • Atomic Density: 0.07398120808547085
  • Unit Cell Volume: 121.65251464401955
  • Molar Volume: 8.140095188824969
  • Full Formula: Ta6 N3
  • Reduced Formula: Ta2N
  • Formula Anonymous: AB2
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -105.48669681
  • Final energy per atom: -11.72074409
  • 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.