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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208045

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-1208045
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Tl', 'Fe', 'S', 'O']
  • Chemical System: Fe-O-S-Tl
  • Density: 3.876735053887307
  • Atomic Density: 0.06193274293260518
  • Unit Cell Volume: 775.034298936724
  • Molar Volume: 9.723678420885147
  • Full Formula: Tl4 Fe4 S8 O32
  • Reduced Formula: TlFe(SO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -320.79939772
  • Final energy per atom: -6.683320785833334
  • 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.