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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216567

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-1216567
  • 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: 8
  • Number of elements: 3
  • Element list: ['Tl', 'In', 'Se']
  • Chemical System: In-Se-Tl
  • Density: 6.0604619213601305
  • Atomic Density: 0.033767006279603565
  • Unit Cell Volume: 236.9176566544567
  • Molar Volume: 17.83439346128111
  • Full Formula: Tl1 In3 Se4
  • Reduced Formula: TlIn3Se4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 97
  • Spacegroup Symbol: I422
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -30.29402529
  • Final energy per atom: -3.78675316125
  • 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.