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  1. Third-Parties
  2. MatprojStructure
  3. mp-558483

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-558483
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['K', 'Li', 'I', 'O']
  • Chemical System: I-K-Li-O
  • Density: 3.277107138745373
  • Atomic Density: 0.06131561429244283
  • Unit Cell Volume: 1565.6697092217182
  • Molar Volume: 9.821545179793185
  • Full Formula: K32 Li8 I8 O48
  • Reduced Formula: K4LiIO6
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -460.04794695
  • Final energy per atom: -4.7921661140625
  • 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.