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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204377

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-1204377
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Tl', 'Hg', 'S', 'Br']
  • Chemical System: Br-Hg-S-Tl
  • Density: 6.690046525641654
  • Atomic Density: 0.033301303465080256
  • Unit Cell Volume: 960.9233474466007
  • Molar Volume: 18.083798930918174
  • Full Formula: Tl2 Hg12 S8 Br10
  • Reduced Formula: TlHg6S4Br5
  • Formula Anonymous: AB4C5D6
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -79.36572378000001
  • Final energy per atom: -2.4801788681250003
  • 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.