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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202061

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-1202061
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Tl', 'Au']
  • Chemical System: Au-K-Na-Tl
  • Density: 5.087812626270325
  • Atomic Density: 0.025605604850596837
  • Unit Cell Volume: 3905.394954873293
  • Molar Volume: 23.51883814164082
  • Full Formula: K38 Na12 Tl48 Au2
  • Reduced Formula: K19Na6Tl24Au
  • Formula Anonymous: AB6C19D24
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -189.30437755
  • Final energy per atom: -1.8930437755
  • 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.