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  1. Third-Parties
  2. MatprojStructure
  3. mp-998147

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-998147
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Tl', 'Cu', 'Cl']
  • Chemical System: Cl-Cu-Tl
  • Density: 5.3920049652162465
  • Atomic Density: 0.043377541978165714
  • Unit Cell Volume: 115.26702002886132
  • Molar Volume: 13.883084391990844
  • Full Formula: Tl1 Cu1 Cl3
  • Reduced Formula: TlCuCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -17.32434824
  • Final energy per atom: -3.4648696479999996
  • 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.