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  1. Third-Parties
  2. MatprojStructure
  3. mp-1186075

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-1186075
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['Na', 'S', 'O', 'F']
  • Chemical System: F-Na-O-S
  • Density: 2.5336808481178186
  • Atomic Density: 0.0746201229818838
  • Unit Cell Volume: 120.61089744096256
  • Molar Volume: 8.07039779532667
  • Full Formula: Na3 S1 O4 F1
  • Reduced Formula: Na3SO4F
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -51.04035321
  • Final energy per atom: -5.671150356666667
  • 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.