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  1. Third-Parties
  2. MatprojStructure
  3. mp-2048

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-2048
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 2
  • Element list: ['Tl', 'Te']
  • Chemical System: Te-Tl
  • Density: 8.103293628623124
  • Atomic Density: 0.02939857207759762
  • Unit Cell Volume: 2176.9764814111313
  • Molar Volume: 20.484466878542744
  • Full Formula: Tl32 Te32
  • Reduced Formula: TlTe
  • Formula Anonymous: AB
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -206.52653438
  • Final energy per atom: -3.2269770996875
  • 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.