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  1. Third-Parties
  2. MatprojStructure
  3. mp-569896

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-569896
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['K', 'Tl', 'Cd']
  • Chemical System: Cd-K-Tl
  • Density: 6.115114102805104
  • Atomic Density: 0.027692923432825763
  • Unit Cell Volume: 1588.8535606119747
  • Molar Volume: 21.74613588416478
  • Full Formula: K14 Tl21 Cd9
  • Reduced Formula: K14(Tl7Cd3)3
  • Formula Anonymous: A9B14C21
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -78.69158027
  • Final energy per atom: -1.7884450061363637
  • 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.