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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179462

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-1179462
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Tl', 'Co', 'N', 'Cl']
  • Chemical System: Cl-Co-N-Tl
  • Density: 2.909456933337076
  • Atomic Density: 0.04379705616101124
  • Unit Cell Volume: 1278.6247503514173
  • Molar Volume: 13.750103974707313
  • Full Formula: Tl4 Co4 N24 Cl24
  • Reduced Formula: TlCo(NCl)6
  • Formula Anonymous: ABC6D6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -242.708602
  • Final energy per atom: -4.334082178571429
  • 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.