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  1. Third-Parties
  2. MatprojStructure
  3. mp-562137

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-562137
  • 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: ['K', 'Li', 'C', 'O']
  • Chemical System: C-K-Li-O
  • Density: 2.1627973058444216
  • Atomic Density: 0.07369103756015619
  • Unit Cell Volume: 325.6841102340035
  • Molar Volume: 8.172148146352189
  • Full Formula: K4 Li4 C4 O12
  • Reduced Formula: KLiCO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -161.00556706
  • Final energy per atom: -6.708565294166667
  • 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.