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  1. Third-Parties
  2. MatprojStructure
  3. mp-727249

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-727249
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['K', 'Mn', 'Cl', 'O']
  • Chemical System: Cl-K-Mn-O
  • Density: 1.9528371931702835
  • Atomic Density: 0.03542336371636728
  • Unit Cell Volume: 395.21938436160804
  • Molar Volume: 17.00047688361533
  • Full Formula: K2 Mn2 Cl6 O4
  • Reduced Formula: KMnCl3O2
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -65.17351582
  • Final energy per atom: -4.655251130000001
  • 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.