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  1. Third-Parties
  2. MatprojStructure
  3. mp-561491

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-561491
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 6
  • Element list: ['K', 'Na', 'Mg', 'Si', 'O', 'F']
  • Chemical System: F-K-Mg-Na-O-Si
  • Density: 2.786454496883493
  • Atomic Density: 0.07971111942925588
  • Unit Cell Volume: 250.90602344068355
  • Molar Volume: 7.554956953458279
  • Full Formula: K1 Na1 Mg2 Si4 O10 F2
  • Reduced Formula: KNaMg2Si4(O5F)2
  • Formula Anonymous: ABC2D2E4F10
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -145.15664983000002
  • Final energy per atom: -7.257832491500001
  • 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.