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  1. Third-Parties
  2. MatprojStructure
  3. mp-27488

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-27488
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Ta', 'N']
  • Chemical System: N-Ta
  • Density: 9.746088593903641
  • Atomic Density: 0.07661218023853984
  • Unit Cell Volume: 208.8440761009851
  • Molar Volume: 7.860552644826777
  • Full Formula: Ta6 N10
  • Reduced Formula: Ta3N5
  • Formula Anonymous: A3B5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -174.85709385
  • Final energy per atom: -10.928568365625
  • 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.