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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217483

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-1217483
  • 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: 88
  • Number of elements: 3
  • Element list: ['Tl', 'Mo', 'Br']
  • Chemical System: Br-Mo-Tl
  • Density: 4.766262529653279
  • Atomic Density: 0.03002612879794009
  • Unit Cell Volume: 2930.780740740616
  • Molar Volume: 20.056334269814837
  • Full Formula: Tl8 Mo24 Br56
  • Reduced Formula: TlMo3Br7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 16
  • Spacegroup Symbol: P222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -464.53519089
  • Final energy per atom: -5.2788089873863635
  • 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.