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  1. Third-Parties
  2. MatprojStructure
  3. mp-863407

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-863407
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'Si', 'O']
  • Chemical System: Fe-Li-O-Si
  • Density: 3.0233561463537812
  • Atomic Density: 0.09025817648381469
  • Unit Cell Volume: 731.2356904511058
  • Molar Volume: 6.672127661564163
  • Full Formula: Li12 Fe6 Si12 O36
  • Reduced Formula: Li2Fe(SiO3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -480.80819506
  • Final energy per atom: -7.284972652424242
  • 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.