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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221240

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-1221240
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 6
  • Element list: ['Na', 'Al', 'Ga', 'Si', 'Br', 'O']
  • Chemical System: Al-Br-Ga-Na-O-Si
  • Density: 2.5551609036261937
  • Atomic Density: 0.06189477880683696
  • Unit Cell Volume: 743.1967750229489
  • Molar Volume: 9.729642590361415
  • Full Formula: Na8 Al4 Ga2 Si6 Br2 O24
  • Reduced Formula: Na4Al2GaSi3BrO12
  • Formula Anonymous: ABC2D3E4F12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -320.94390343
  • Final energy per atom: -6.977041378913043
  • 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.