Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-759281

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-759281
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'Si', 'O']
  • Chemical System: Fe-Li-O-Si
  • Density: 2.544651093840909
  • Atomic Density: 0.0692647723415811
  • Unit Cell Volume: 1212.7376898858734
  • Molar Volume: 8.694377468392807
  • Full Formula: Li12 Fe12 Si12 O48
  • Reduced Formula: LiFeSiO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 181
  • Spacegroup Symbol: P6_422
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -637.17405865
  • Final energy per atom: -7.5854054601190475
  • 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.