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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217041

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-1217041
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Tl', 'In', 'Sn', 'Se']
  • Chemical System: In-Se-Sn-Tl
  • Density: 6.321219396149922
  • Atomic Density: 0.033431565234172324
  • Unit Cell Volume: 448.6777659057267
  • Molar Volume: 18.013337747777435
  • Full Formula: Tl3 In3 Sn1 Se8
  • Reduced Formula: Tl3In3SnSe8
  • Formula Anonymous: AB3C3D8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -54.03123067999999
  • Final energy per atom: -3.602082045333333
  • 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.