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  1. Third-Parties
  2. MatprojStructure
  3. mp-530709

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-530709
  • 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: 88
  • Number of elements: 3
  • Element list: ['Tl', 'W', 'Br']
  • Chemical System: Br-Tl-W
  • Density: 5.9362933646780505
  • Atomic Density: 0.029899009909366763
  • Unit Cell Volume: 2943.241273431979
  • Molar Volume: 20.141605953692075
  • Full Formula: Tl8 W24 Br56
  • Reduced Formula: TlW3Br7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 48
  • Spacegroup Symbol: Pnnn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -501.32871664999993
  • Final energy per atom: -5.69691723465909
  • 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.