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  1. Third-Parties
  2. MatprojStructure
  3. mp-943492

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-943492
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Li', 'Fe', 'S', 'O', 'F']
  • Chemical System: F-Fe-Li-O-S
  • Density: 3.059776944974518
  • Atomic Density: 0.08288655813889854
  • Unit Cell Volume: 386.0698371185285
  • Molar Volume: 7.2655215697439095
  • Full Formula: Li4 Fe4 S4 O16 F4
  • Reduced Formula: LiFeSO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -214.87400391
  • Final energy per atom: -6.7148126221875
  • 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.