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  1. Third-Parties
  2. MatprojStructure
  3. mp-731306

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-731306
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Nb', 'Br', 'N']
  • Chemical System: Br-N-Nb
  • Density: 3.1287274369195677
  • Atomic Density: 0.02896263929911726
  • Unit Cell Volume: 1104.871682083729
  • Molar Volume: 20.792789972644332
  • Full Formula: Nb4 Br20 N8
  • Reduced Formula: NbBr5N2
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -124.40653494
  • Final energy per atom: -3.887704216875
  • 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.