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  1. Third-Parties
  2. MatprojStructure
  3. mp-781611

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-781611
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Li', 'Fe', 'C', 'S', 'O']
  • Chemical System: C-Fe-Li-O-S
  • Density: 2.56283882247661
  • Atomic Density: 0.08762696414104916
  • Unit Cell Volume: 616.2486687668267
  • Molar Volume: 6.8724744934749
  • Full Formula: Li8 Fe4 C8 S2 O32
  • Reduced Formula: Li4Fe2C4SO16
  • Formula Anonymous: AB2C4D4E16
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -394.82636443
  • Final energy per atom: -7.311599341296296
  • 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.