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  1. Third-Parties
  2. MatprojStructure
  3. mp-777799

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-777799
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'Si', 'O']
  • Chemical System: Fe-Li-O-Si
  • Density: 2.5456879542044075
  • Atomic Density: 0.07899513572791332
  • Unit Cell Volume: 1265.9007301972963
  • Molar Volume: 7.623432385434901
  • Full Formula: Li12 Fe4 Si24 O60
  • Reduced Formula: Li3Fe(Si2O5)3
  • Formula Anonymous: AB3C6D15
  • Spacegroup Number: 192
  • Spacegroup Symbol: P6/mcc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -776.82948422
  • Final energy per atom: -7.7682948422
  • 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.