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  1. Third-Parties
  2. MatprojStructure
  3. mp-43068

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-43068
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 6
  • Element list: ['Na', 'Al', 'Si', 'Ag', 'Br', 'O']
  • Chemical System: Ag-Al-Br-Na-O-Si
  • Density: 2.75892360658298
  • Atomic Density: 0.06224374591056596
  • Unit Cell Volume: 739.0300716491975
  • Molar Volume: 9.675093733357288
  • Full Formula: Na6 Al6 Si6 Ag2 Br2 O24
  • Reduced Formula: Na3Al3Si3AgBrO12
  • Formula Anonymous: ABC3D3E3F12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -325.67048485
  • Final energy per atom: -7.079793148913043
  • 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.