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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197644

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-1197644
  • 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: 80
  • Number of elements: 3
  • Element list: ['K', 'In', 'F']
  • Chemical System: F-In-K
  • Density: 3.055608559978419
  • Atomic Density: 0.05316708578393212
  • Unit Cell Volume: 1504.6903327580385
  • Molar Volume: 11.326821230100183
  • Full Formula: K24 In8 F48
  • Reduced Formula: K3InF6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 203
  • Spacegroup Symbol: Fd-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -379.93273057
  • Final energy per atom: -4.7491591321249995
  • 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.