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  1. Third-Parties
  2. MatprojStructure
  3. mp-555299

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-555299
  • 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: 62
  • Number of elements: 6
  • Element list: ['Sr', 'C', 'S', 'N', 'O', 'F']
  • Chemical System: C-F-N-O-S-Sr
  • Density: 2.2736492536499
  • Atomic Density: 0.06551185271166997
  • Unit Cell Volume: 946.3936285373229
  • Molar Volume: 9.192444589385342
  • Full Formula: Sr2 C8 S8 N4 O16 F24
  • Reduced Formula: SrC4S4N2(O2F3)4
  • Formula Anonymous: AB2C4D4E8F12
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -375.28195808
  • Final energy per atom: -6.052934807741935
  • 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.