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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213698

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-1213698
  • 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: 23
  • Number of elements: 3
  • Element list: ['Cs', 'Na', 'Tl']
  • Chemical System: Cs-Na-Tl
  • Density: 6.542902177732587
  • Atomic Density: 0.025554332845618116
  • Unit Cell Volume: 900.0430627146615
  • Molar Volume: 23.566026146648692
  • Full Formula: Cs6 Na4 Tl13
  • Reduced Formula: Cs6Na4Tl13
  • Formula Anonymous: A4B6C13
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -44.57312083
  • Final energy per atom: -1.9379617752173914
  • 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.