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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207899

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-1207899
  • 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: 52
  • Number of elements: 4
  • Element list: ['Y', 'Tl', 'S', 'O']
  • Chemical System: O-S-Tl-Y
  • Density: 4.132089771519951
  • Atomic Density: 0.06451604910982876
  • Unit Cell Volume: 806.0009984721462
  • Molar Volume: 9.334329741345787
  • Full Formula: Y4 Tl4 S8 O36
  • Reduced Formula: YTlS2O9
  • Formula Anonymous: ABC2D9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -352.70630705
  • Final energy per atom: -6.782813597115385
  • 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.