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  1. Third-Parties
  2. MatprojStructure
  3. mp-23657

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-23657
  • 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: 18
  • Number of elements: 5
  • Element list: ['Na', 'S', 'Cl', 'O', 'F']
  • Chemical System: Cl-F-Na-O-S
  • Density: 2.409119055807639
  • Atomic Density: 0.06791538029651792
  • Unit Cell Volume: 265.0356947338315
  • Molar Volume: 8.867123667286247
  • Full Formula: Na6 S2 Cl1 O8 F1
  • Reduced Formula: Na6S2ClO8F
  • Formula Anonymous: ABC2D6E8
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -100.78623865
  • Final energy per atom: -5.5992354805555555
  • 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.