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  1. Third-Parties
  2. MatprojStructure
  3. mp-28790

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-28790
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 3
  • Element list: ['Al', 'Tl', 'S']
  • Chemical System: Al-S-Tl
  • Density: 3.0779214952768656
  • Atomic Density: 0.041887897366296896
  • Unit Cell Volume: 1766.6200657648808
  • Molar Volume: 14.376803656049418
  • Full Formula: Al26 Tl6 S42
  • Reduced Formula: Al13(TlS7)3
  • Formula Anonymous: A3B13C21
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -381.61687925
  • Final energy per atom: -5.15698485472973
  • 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.