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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220519

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-1220519
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['Nb', 'N']
  • Chemical System: N-Nb
  • Density: 5.665727431849526
  • Atomic Density: 0.05773992162645784
  • Unit Cell Volume: 121.23327851543931
  • Molar Volume: 10.42976954308942
  • Full Formula: Nb4 N3
  • Reduced Formula: Nb4N3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -64.97899639
  • Final energy per atom: -9.28271377
  • 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.