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  1. Third-Parties
  2. MatprojStructure
  3. mp-553948

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-553948
  • 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: 74
  • Number of elements: 5
  • Element list: ['Tl', 'Hg', 'Sb', 'As', 'S']
  • Chemical System: As-Hg-S-Sb-Tl
  • Density: 4.987885313279191
  • Atomic Density: 0.038277877981658055
  • Unit Cell Volume: 1933.2315139167126
  • Molar Volume: 15.732692295235596
  • Full Formula: Tl8 Hg6 Sb4 As16 S40
  • Reduced Formula: Tl4Hg3Sb2(As2S5)4
  • Formula Anonymous: A2B3C4D8E20
  • Spacegroup Number: 41
  • Spacegroup Symbol: Aea2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -311.6365341300001
  • Final energy per atom: -4.211304515270271
  • 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.