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  1. Third-Parties
  2. MatprojStructure
  3. mp-648140

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-648140
  • 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: 84
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'S', 'Cl', 'O']
  • Chemical System: Al-Cl-Na-O-S
  • Density: 1.8294686002624383
  • Atomic Density: 0.04018418497169277
  • Unit Cell Volume: 2090.374610289414
  • Molar Volume: 14.986345409872612
  • Full Formula: Na8 Al8 S12 Cl32 O24
  • Reduced Formula: Na2Al2S3(Cl4O3)2
  • Formula Anonymous: A2B2C3D6E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -423.85411663
  • Final energy per atom: -5.045882340833334
  • 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.