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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201845

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-1201845
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 6
  • Element list: ['Li', 'Au', 'C', 'S', 'O', 'F']
  • Chemical System: Au-C-F-Li-O-S
  • Density: 2.6483505857454888
  • Atomic Density: 0.0677665581272622
  • Unit Cell Volume: 501.72239729439553
  • Molar Volume: 8.88659676162204
  • Full Formula: Li1 Au1 C4 S4 O12 F12
  • Reduced Formula: LiAuC4S4(OF)12
  • Formula Anonymous: ABC4D4E12F12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -199.6196988
  • Final energy per atom: -5.871167611764706
  • 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.