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  1. Third-Parties
  2. MatprojStructure
  3. mp-555436

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-555436
  • 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: 76
  • Number of elements: 4
  • Element list: ['S', 'N', 'O', 'F']
  • Chemical System: F-N-O-S
  • Density: 2.057686355111449
  • Atomic Density: 0.06001160585799697
  • Unit Cell Volume: 1266.4217014928033
  • Molar Volume: 10.034960194616268
  • Full Formula: S20 N8 O32 F16
  • Reduced Formula: S5N2(O2F)4
  • Formula Anonymous: A2B4C5D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -445.9235806
  • Final energy per atom: -5.867415534210526
  • 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.