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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196643

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-1196643
  • 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: 136
  • Number of elements: 6
  • Element list: ['Li', 'C', 'S', 'N', 'O', 'F']
  • Chemical System: C-F-Li-N-O-S
  • Density: 2.029367616898946
  • Atomic Density: 0.06854786453285702
  • Unit Cell Volume: 1984.0151247134936
  • Molar Volume: 8.785307611024717
  • Full Formula: Li8 C16 S16 N8 O40 F48
  • Reduced Formula: LiC2S2NO5F6
  • Formula Anonymous: ABC2D2E5F6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -776.31246915
  • Final energy per atom: -5.708179920220588
  • 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.