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  1. Third-Parties
  2. MatprojStructure
  3. mp-684833

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-684833
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 4
  • Element list: ['Na', 'Al', 'Si', 'O']
  • Chemical System: Al-Na-O-Si
  • Density: 2.0719159124702764
  • Atomic Density: 0.06141073058738233
  • Unit Cell Volume: 732.770959888985
  • Molar Volume: 9.806333033981739
  • Full Formula: Na8 Al6 Si6 O25
  • Reduced Formula: Na8Al6Si6O25
  • Formula Anonymous: A6B6C8D25
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -325.22086876000003
  • Final energy per atom: -7.2271304168888895
  • 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.