Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-849804

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-849804
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 168
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'Si', 'O']
  • Chemical System: Fe-Li-O-Si
  • Density: 2.924809051007652
  • Atomic Density: 0.07961257775220422
  • Unit Cell Volume: 2110.2193239227026
  • Molar Volume: 7.5643082161515185
  • Full Formula: Li24 Fe24 Si24 O96
  • Reduced Formula: LiFeSiO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 169
  • Spacegroup Symbol: P6_1
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -1270.17226258
  • Final energy per atom: -7.56054918202381
  • 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.