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  1. Third-Parties
  2. MatprojStructure
  3. mp-558728

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-558728
  • 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', 'F']
  • Chemical System: Cs-F-Li
  • Density: 4.128959441962315
  • Atomic Density: 0.04898669546694434
  • Unit Cell Volume: 204.1370601686714
  • Molar Volume: 12.293421106683288
  • Full Formula: Cs3 Li2 F5
  • Reduced Formula: Cs3Li2F5
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -45.382649650000005
  • Final energy per atom: -4.538264965000001
  • 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.