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  1. Third-Parties
  2. MatprojStructure
  3. mp-608311

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-608311
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cs', 'Li', 'I']
  • Chemical System: Cs-I-Li
  • Density: 3.7800861159387393
  • Atomic Density: 0.024712648466602198
  • Unit Cell Volume: 404.6510843835478
  • Molar Volume: 24.368657888443625
  • Full Formula: Cs2 Li3 I5
  • Reduced Formula: Cs2Li3I5
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -30.4984525
  • Final energy per atom: -3.0498452499999997
  • 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.