Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1261131

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-1261131
  • 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: 96
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'Si', 'O']
  • Chemical System: Fe-Li-O-Si
  • Density: 3.2092734133802794
  • Atomic Density: 0.08739597268524571
  • Unit Cell Volume: 1098.4487848855629
  • Molar Volume: 6.8906387502414805
  • Full Formula: Li12 Fe12 Si18 O54
  • Reduced Formula: Li2Fe2(SiO3)3
  • Formula Anonymous: A2B2C3D9
  • Spacegroup Number: 145
  • Spacegroup Symbol: P3_2
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -743.9473987499999
  • Final energy per atom: -7.7494520703125
  • 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.