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  1. Third-Parties
  2. MatprojStructure
  3. mp-557006

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-557006
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Na', 'Sb', 'S', 'O', 'F']
  • Chemical System: F-Na-O-S-Sb
  • Density: 3.3865584227742724
  • Atomic Density: 0.06993126595879749
  • Unit Cell Volume: 629.1892388438124
  • Molar Volume: 8.611514002260677
  • Full Formula: Na8 Sb4 S4 O16 F12
  • Reduced Formula: Na2SbSO4F3
  • Formula Anonymous: ABC2D3E4
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -251.66957103
  • Final energy per atom: -5.719762977954545
  • 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.