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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202038

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-1202038
  • 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: 48
  • Number of elements: 6
  • Element list: ['Tl', 'H', 'C', 'S', 'I', 'O']
  • Chemical System: C-H-I-O-S-Tl
  • Density: 2.5021816780871484
  • Atomic Density: 0.048780891258200024
  • Unit Cell Volume: 983.9918616069001
  • Molar Volume: 12.345286452689983
  • Full Formula: Tl2 H24 C8 S4 I6 O4
  • Reduced Formula: TlH12C4S2I3O2
  • Formula Anonymous: AB2C2D3E4F12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -224.55782401
  • Final energy per atom: -4.678288000208333
  • 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.