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  1. Third-Parties
  2. MatprojStructure
  3. mp-621981

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-621981
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Tl', 'Ag', 'C', 'N']
  • Chemical System: Ag-C-N-Tl
  • Density: 4.767915422730486
  • Atomic Density: 0.04729201919047823
  • Unit Cell Volume: 1014.9704077271524
  • Molar Volume: 12.733947213682299
  • Full Formula: Tl8 Ag8 C16 N16
  • Reduced Formula: TlAg(CN)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -310.95000704
  • Final energy per atom: -6.478125146666667
  • 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.