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  1. Third-Parties
  2. MatprojStructure
  3. mp-28676

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-28676
  • 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: 36
  • Number of elements: 3
  • Element list: ['S', 'O', 'F']
  • Chemical System: F-O-S
  • Density: 2.0543611194513964
  • Atomic Density: 0.06113690941248951
  • Unit Cell Volume: 588.8423269339429
  • Molar Volume: 9.850253828450398
  • Full Formula: S8 O20 F8
  • Reduced Formula: S2O5F2
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 114
  • Spacegroup Symbol: P-42_1c
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -212.24836085
  • Final energy per atom: -5.895787801388889
  • 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.