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  1. Third-Parties
  2. MatprojStructure
  3. mp-28218

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-28218
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Tl', 'Cd', 'Cl']
  • Chemical System: Cd-Cl-Tl
  • Density: 4.988942100893421
  • Atomic Density: 0.035500268561598006
  • Unit Cell Volume: 563.3760196855176
  • Molar Volume: 16.96364845677359
  • Full Formula: Tl4 Cd4 Cl12
  • Reduced Formula: TlCdCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -64.19438377
  • Final energy per atom: -3.2097191885000003
  • 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.