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  1. Third-Parties
  2. MatprojStructure
  3. mp-567424

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-567424
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'As', 'Pb']
  • Chemical System: As-K-Nb-Pb
  • Density: 3.177042514067846
  • Atomic Density: 0.029062150047364014
  • Unit Cell Volume: 2064.540988956944
  • Molar Volume: 20.72159406714721
  • Full Formula: K32 Nb4 As20 Pb4
  • Reduced Formula: K8NbAs5Pb
  • Formula Anonymous: ABC5D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -211.74012135
  • Final energy per atom: -3.5290020225000003
  • 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.