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  1. Third-Parties
  2. MatprojStructure
  3. mp-555309

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-555309
  • 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: 52
  • Number of elements: 5
  • Element list: ['C', 'S', 'N', 'O', 'F']
  • Chemical System: C-F-N-O-S
  • Density: 2.146323206143693
  • Atomic Density: 0.06148730875588363
  • Unit Cell Volume: 845.7029759824087
  • Molar Volume: 9.79411992791724
  • Full Formula: C4 S16 N8 O12 F12
  • Reduced Formula: CS4N2(OF)3
  • Formula Anonymous: AB2C3D3E4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -303.59293329
  • Final energy per atom: -5.838325640192308
  • 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.