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  1. Third-Parties
  2. MatprojStructure
  3. mp-560005

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-560005
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Tl', 'Re', 'S', 'Cl']
  • Chemical System: Cl-Re-S-Tl
  • Density: 6.360010470049294
  • Atomic Density: 0.0398067559338992
  • Unit Cell Volume: 1004.8545544987812
  • Molar Volume: 15.128438926296878
  • Full Formula: Tl4 Re12 S16 Cl8
  • Reduced Formula: TlRe3(S2Cl)2
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -281.04748594999995
  • Final energy per atom: -7.026187148749999
  • 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.