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  1. Third-Parties
  2. MatprojStructure
  3. mp-649747

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-649747
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 176
  • Number of elements: 3
  • Element list: ['K', 'Sb', 'F']
  • Chemical System: F-K-Sb
  • Density: 3.2605886792786207
  • Atomic Density: 0.05325869776276973
  • Unit Cell Volume: 3304.62454759891
  • Molar Volume: 11.307337604881793
  • Full Formula: K44 Sb22 F110
  • Reduced Formula: K2SbF5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -863.2759229300002
  • Final energy per atom: -4.904976834829546
  • 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.