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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078621

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-1078621
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Tl', 'In', 'S']
  • Chemical System: In-S-Tl
  • Density: 5.865431013978675
  • Atomic Density: 0.03685840545393062
  • Unit Cell Volume: 217.04682830078508
  • Molar Volume: 16.338581894235993
  • Full Formula: Tl2 In2 S4
  • Reduced Formula: TlInS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -32.83512474
  • Final energy per atom: -4.1043905925
  • 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.