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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197369

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-1197369
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Tl', 'Cd']
  • Chemical System: Cd-K-Na-Tl
  • Density: 4.7040893124045455
  • Atomic Density: 0.02687613168241876
  • Unit Cell Volume: 3423.111669756498
  • Molar Volume: 22.4070220787742
  • Full Formula: K32 Na18 Tl36 Cd6
  • Reduced Formula: K16Na9(Tl6Cd)3
  • Formula Anonymous: A3B9C16D18
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -161.52939465
  • Final energy per atom: -1.7557542896739131
  • 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.