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  1. Third-Parties
  2. MatprojStructure
  3. mp-555625

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-555625
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['C', 'S', 'Cl', 'O', 'F']
  • Chemical System: C-Cl-F-O-S
  • Density: 1.8787576107546926
  • Atomic Density: 0.05855845140931323
  • Unit Cell Volume: 1502.7719805104741
  • Molar Volume: 10.283982269111425
  • Full Formula: C16 S8 Cl8 O32 F24
  • Reduced Formula: C2SClO4F3
  • Formula Anonymous: ABC2D3E4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -537.12638148
  • Final energy per atom: -6.103708880454545
  • 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.