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  1. Third-Parties
  2. MatprojStructure
  3. mp-12104

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-12104
  • 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: 9
  • Number of elements: 2
  • Element list: ['Nb', 'Si']
  • Chemical System: Nb-Si
  • Density: 5.577439820821865
  • Atomic Density: 0.06759200026125853
  • Unit Cell Volume: 133.15185177554952
  • Molar Volume: 8.90954659830017
  • Full Formula: Nb3 Si6
  • Reduced Formula: NbSi2
  • Formula Anonymous: AB2
  • Spacegroup Number: 181
  • Spacegroup Symbol: P6_422
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -67.37300716
  • Final energy per atom: -7.4858896844444445
  • 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.