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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199453

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-1199453
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 168
  • Number of elements: 4
  • Element list: ['K', 'Li', 'Mo', 'O']
  • Chemical System: K-Li-Mo-O
  • Density: 2.7836811340013523
  • Atomic Density: 0.0569704842533023
  • Unit Cell Volume: 2948.895418424706
  • Molar Volume: 10.570632914448021
  • Full Formula: K24 Li24 Mo24 O96
  • Reduced Formula: KLiMoO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -1186.45837938
  • Final energy per atom: -7.0622522582142855
  • 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.