Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-765575

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-765575
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'Si', 'O']
  • Chemical System: Fe-Li-O-Si
  • Density: 4.186342203999192
  • Atomic Density: 0.10800951811165681
  • Unit Cell Volume: 287.01174250174125
  • Molar Volume: 5.57556488102697
  • Full Formula: Li7 Fe7 Si1 O16
  • Reduced Formula: Li7Fe7SiO16
  • Formula Anonymous: AB7C7D16
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -219.85152029
  • Final energy per atom: -7.091984525483871
  • 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.