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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220347

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-1220347
  • 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: 8
  • Number of elements: 3
  • Element list: ['Nb', 'Al', 'Si']
  • Chemical System: Al-Nb-Si
  • Density: 7.34763620940614
  • Atomic Density: 0.0577934567134816
  • Unit Cell Volume: 138.42397487419754
  • Molar Volume: 10.420108265639012
  • Full Formula: Nb6 Al1 Si1
  • Reduced Formula: Nb6AlSi
  • Formula Anonymous: ABC6
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -71.74656311
  • Final energy per atom: -8.96832038875
  • 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.