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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208182

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-1208182
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Tl', 'H', 'N', 'Cl']
  • Chemical System: Cl-H-N-Tl
  • Density: 4.050824332421846
  • Atomic Density: 0.05024436558984341
  • Unit Cell Volume: 477.6654997680268
  • Molar Volume: 11.985703649161685
  • Full Formula: Tl4 H8 N4 Cl8
  • Reduced Formula: TlH2NCl2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -90.44558513
  • Final energy per atom: -3.768566047083333
  • 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.