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  1. Third-Parties
  2. MatprojStructure
  3. mp-23049

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-23049
  • 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: 20
  • Number of elements: 3
  • Element list: ['K', 'Mn', 'Cl']
  • Chemical System: Cl-K-Mn
  • Density: 2.625034017111212
  • Atomic Density: 0.0394428432364409
  • Unit Cell Volume: 507.0628372328436
  • Molar Volume: 15.268018899905764
  • Full Formula: K4 Mn4 Cl12
  • Reduced Formula: KMnCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -99.38299055
  • Final energy per atom: -4.9691495275
  • 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.