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  1. Third-Parties
  2. MatprojStructure
  3. mp-1206297

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-1206297
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 2
  • Element list: ['Tl', 'S']
  • Chemical System: S-Tl
  • Density: 0.2741667931507101
  • Atomic Density: 0.0016348480960155733
  • Unit Cell Volume: 6116.776246289699
  • Molar Volume: 368.36087552580994
  • Full Formula: Tl4 S6
  • Reduced Formula: Tl2S3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -28.18356837
  • Final energy per atom: -2.818356837
  • 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.