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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220481

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-1220481
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 2
  • Element list: ['Nb', 'Al']
  • Chemical System: Al-Nb
  • Density: 7.405078406742782
  • Atomic Density: 0.05593782593348742
  • Unit Cell Volume: 89.38495403709868
  • Molar Volume: 10.76577550075077
  • Full Formula: Nb4 Al1
  • Reduced Formula: Nb4Al
  • Formula Anonymous: AB4
  • Spacegroup Number: 69
  • Spacegroup Symbol: Fmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -44.69672899
  • Final energy per atom: -8.939345798
  • 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.