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  1. Third-Parties
  2. MatprojStructure
  3. mp-28113

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-28113
  • 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: 48
  • Number of elements: 3
  • Element list: ['W', 'S', 'F']
  • Chemical System: F-S-W
  • Density: 3.855427260455931
  • Atomic Density: 0.0477246372040938
  • Unit Cell Volume: 1005.7698248124677
  • Molar Volume: 12.618515535794213
  • Full Formula: W8 S8 F32
  • Reduced Formula: WSF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -305.31258464
  • Final energy per atom: -6.360678846666667
  • 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.