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  1. Third-Parties
  2. MatprojStructure
  3. mp-1238771

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-1238771
  • 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: 24
  • Number of elements: 5
  • Element list: ['Li', 'Ce', 'Sm', 'Mo', 'O']
  • Chemical System: Ce-Li-Mo-O-Sm
  • Density: 4.870594160511783
  • Atomic Density: 0.07456280307533913
  • Unit Cell Volume: 321.8763111111866
  • Molar Volume: 8.07660188675466
  • Full Formula: Li2 Ce1 Sm1 Mo4 O16
  • Reduced Formula: Li2CeSm(MoO4)4
  • Formula Anonymous: ABC2D4E16
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -196.63358814
  • Final energy per atom: -8.1930661725
  • 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.