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  1. Third-Parties
  2. MatprojStructure
  3. mp-777573

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-777573
  • 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: 76
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'S', 'O']
  • Chemical System: Fe-Li-O-S
  • Density: 2.840035055964219
  • Atomic Density: 0.07853801327460229
  • Unit Cell Volume: 967.6842694539737
  • Molar Volume: 7.667803791959996
  • Full Formula: Li8 Fe8 S12 O48
  • Reduced Formula: Li2Fe2(SO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -523.47064473
  • Final energy per atom: -6.8877716411842105
  • 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.