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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220864

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-1220864
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 6
  • Element list: ['Na', 'Al', 'Ga', 'Si', 'Cl', 'O']
  • Chemical System: Al-Cl-Ga-Na-O-Si
  • Density: 2.486699624249578
  • Atomic Density: 0.0627700845932572
  • Unit Cell Volume: 732.8331688267526
  • Molar Volume: 9.593966296242497
  • Full Formula: Na8 Al3 Ga3 Si6 Cl2 O24
  • Reduced Formula: Na8Al3Ga3Si6(ClO12)2
  • Formula Anonymous: A2B3C3D6E8F24
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -318.58216337
  • Final energy per atom: -6.925699203695652
  • 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.