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  1. Third-Parties
  2. MatprojStructure
  3. mp-13002

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-13002
  • 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: 18
  • Number of elements: 3
  • Element list: ['K', 'Si', 'F']
  • Chemical System: F-K-Si
  • Density: 2.7253206042013653
  • Atomic Density: 0.0670580148804624
  • Unit Cell Volume: 268.42428950643404
  • Molar Volume: 8.980493637837426
  • Full Formula: K4 Si2 F12
  • Reduced Formula: K2SiF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -99.9177842
  • Final energy per atom: -5.550988011111111
  • 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.