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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216591

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-1216591
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Tl', 'In', 'Ga', 'Te']
  • Chemical System: Ga-In-Te-Tl
  • Density: 6.391298258124612
  • Atomic Density: 0.030362049004657676
  • Unit Cell Volume: 263.4868285329743
  • Molar Volume: 19.83443462289444
  • Full Formula: Tl1 In2 Ga1 Te4
  • Reduced Formula: TlIn2GaTe4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 23
  • Spacegroup Symbol: I222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -27.73359627
  • Final energy per atom: -3.46669953375
  • 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.