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  1. Third-Parties
  2. MatprojStructure
  3. mp-866662

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-866662
  • 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: 30
  • Number of elements: 5
  • Element list: ['K', 'La', 'Si', 'O', 'F']
  • Chemical System: F-K-La-O-Si
  • Density: 4.276569214440373
  • Atomic Density: 0.06786657308683755
  • Unit Cell Volume: 442.04383152828416
  • Molar Volume: 8.873500585176844
  • Full Formula: K5 La4 Si4 O16 F1
  • Reduced Formula: K5La4Si4O16F
  • Formula Anonymous: AB4C4D5E16
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -227.51585971
  • Final energy per atom: -7.583861990333333
  • 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.