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  1. Third-Parties
  2. MatprojStructure
  3. mp-23144

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-23144
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Tl', 'Re', 'Se', 'Cl']
  • Chemical System: Cl-Re-Se-Tl
  • Density: 7.372703486645436
  • Atomic Density: 0.03861660935741013
  • Unit Cell Volume: 517.9118605388954
  • Molar Volume: 15.594690627193591
  • Full Formula: Tl2 Re6 Se8 Cl4
  • Reduced Formula: TlRe3(Se2Cl)2
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -133.11120563999998
  • Final energy per atom: -6.655560281999999
  • 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.