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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101039

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-1101039
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Tl', 'Bi', 'Se']
  • Chemical System: Bi-Se-Tl
  • Density: 8.040398145559221
  • Atomic Density: 0.03390288181912676
  • Unit Cell Volume: 825.8884937682031
  • Molar Volume: 17.76291700548751
  • Full Formula: Tl7 Bi7 Se14
  • Reduced Formula: TlBiSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -106.33853378
  • Final energy per atom: -3.797804777857143
  • 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.