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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191673

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-1191673
  • 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: 22
  • Number of elements: 5
  • Element list: ['Na', 'B', 'S', 'O', 'F']
  • Chemical System: B-F-Na-O-S
  • Density: 2.521713399756262
  • Atomic Density: 0.07960379248597936
  • Unit Cell Volume: 276.3687421535207
  • Molar Volume: 7.565143031421124
  • Full Formula: Na4 B2 S2 O8 F6
  • Reduced Formula: Na2BSO4F3
  • Formula Anonymous: ABC2D3E4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -135.59343721
  • Final energy per atom: -6.163338055
  • 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.