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  1. Third-Parties
  2. MatprojStructure
  3. mp-510635

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-510635
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 7
  • Element list: ['K', 'Na', 'Li', 'Ti', 'Fe', 'Si', 'O']
  • Chemical System: Fe-K-Li-Na-O-Si-Ti
  • Density: 3.111141651106303
  • Atomic Density: 0.0825260492343658
  • Unit Cell Volume: 969.3908861771383
  • Molar Volume: 7.297260460024831
  • Full Formula: K2 Na4 Li2 Ti4 Fe4 Si16 O48
  • Reduced Formula: KNa2LiTi2Fe2(SiO3)8
  • Formula Anonymous: ABC2D2E2F8G24
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -641.33223616
  • Final energy per atom: -8.016652952
  • 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.