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  1. Third-Parties
  2. MatprojStructure
  3. mp-850924

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-850924
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 37
  • Number of elements: 4
  • Element list: ['K', 'Li', 'Cr', 'O']
  • Chemical System: Cr-K-Li-O
  • Density: 2.6307130928722104
  • Atomic Density: 0.06984655799413211
  • Unit Cell Volume: 529.7326176489386
  • Molar Volume: 8.621957807149103
  • Full Formula: K8 Li9 Cr4 O16
  • Reduced Formula: K8Li9Cr4O16
  • Formula Anonymous: A4B8C9D16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -217.18670491
  • Final energy per atom: -5.8699109435135135
  • 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.