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  1. Third-Parties
  2. MatprojStructure
  3. mp-40226

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-40226
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Na', 'Ga', 'Si', 'I', 'O']
  • Chemical System: Ga-I-Na-O-Si
  • Density: 3.0150070058994896
  • Atomic Density: 0.05929534081220718
  • Unit Cell Volume: 775.7776474493245
  • Molar Volume: 10.156178676959755
  • Full Formula: Na8 Ga6 Si6 I2 O24
  • Reduced Formula: Na4Ga3Si3IO12
  • Formula Anonymous: AB3C3D4E12
  • Spacegroup Number: 218
  • Spacegroup Symbol: P-43n
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -303.99510832
  • Final energy per atom: -6.608589311304348
  • 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.