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  1. Third-Parties
  2. MatprojStructure
  3. mp-998610

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-998610
  • 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: 5
  • Number of elements: 3
  • Element list: ['Tl', 'Ag', 'Cl']
  • Chemical System: Ag-Cl-Tl
  • Density: 5.156241496471542
  • Atomic Density: 0.03708890734350362
  • Unit Cell Volume: 134.8111971509936
  • Molar Volume: 16.237040105347887
  • Full Formula: Tl1 Ag1 Cl3
  • Reduced Formula: TlAgCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -15.81578915
  • Final energy per atom: -3.1631578300000003
  • 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.