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  1. Third-Parties
  2. MatprojStructure
  3. mp-551629

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-551629
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Cs', 'Li', 'Mo', 'O']
  • Chemical System: Cs-Li-Mo-O
  • Density: 3.1537815348257188
  • Atomic Density: 0.044347794189317606
  • Unit Cell Volume: 157.84325078531512
  • Molar Volume: 13.57934677493069
  • Full Formula: Cs1 Li1 Mo1 O4
  • Reduced Formula: CsLiMoO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -49.27714205
  • Final energy per atom: -7.039591721428572
  • 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.