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  1. Third-Parties
  2. MatprojStructure
  3. mp-28578

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-28578
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 3
  • Element list: ['Cs', 'I', 'F']
  • Chemical System: Cs-F-I
  • Density: 3.6366980183067925
  • Atomic Density: 0.053573597103885075
  • Unit Cell Volume: 2986.545773466405
  • Molar Volume: 11.240874396248604
  • Full Formula: Cs8 I24 F128
  • Reduced Formula: CsI3F16
  • Formula Anonymous: AB3C16
  • Spacegroup Number: 218
  • Spacegroup Symbol: P-43n
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -626.9255651999999
  • Final energy per atom: -3.9182847825
  • 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.