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  1. Third-Parties
  2. MatprojStructure
  3. mp-551561

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-551561
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['K', 'C', 'O']
  • Chemical System: C-K-O
  • Density: 2.4423170246959223
  • Atomic Density: 0.05695823485438519
  • Unit Cell Volume: 158.01051459913867
  • Molar Volume: 10.572906227511647
  • Full Formula: K4 C1 O4
  • Reduced Formula: K4CO4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -48.21122366
  • Final energy per atom: -5.3568026288888895
  • 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.