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  1. Third-Parties
  2. MatprojStructure
  3. mp-558240

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-558240
  • 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: 52
  • Number of elements: 5
  • Element list: ['K', 'Al', 'P', 'O', 'F']
  • Chemical System: Al-F-K-O-P
  • Density: 2.8651636152583984
  • Atomic Density: 0.07653592719260234
  • Unit Cell Volume: 679.4194819008623
  • Molar Volume: 7.8683841444101255
  • Full Formula: K6 Al8 P4 O16 F18
  • Reduced Formula: K3Al4P2O8F9
  • Formula Anonymous: A2B3C4D8E9
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -347.66789549
  • Final energy per atom: -6.685921067115384
  • 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.