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  1. Third-Parties
  2. MatprojStructure
  3. mp-554294

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-554294
  • 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: ['Na', 'Sn', 'S', 'O', 'F']
  • Chemical System: F-Na-O-S-Sn
  • Density: 2.9503535694484837
  • Atomic Density: 0.07393369702819107
  • Unit Cell Volume: 703.3328791900167
  • Molar Volume: 8.145326153112222
  • Full Formula: Na14 Sn2 S6 O24 F6
  • Reduced Formula: Na7SnS3(O4F)3
  • Formula Anonymous: AB3C3D7E12
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -301.36427538
  • Final energy per atom: -5.795466834230769
  • 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.