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  1. Third-Parties
  2. MatprojStructure
  3. mp-578650

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-578650
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 103
  • Number of elements: 4
  • Element list: ['Na', 'Nb', 'Al', 'O']
  • Chemical System: Al-Na-Nb-O
  • Density: 5.48058704125653
  • Atomic Density: 0.07895330961521499
  • Unit Cell Volume: 1304.568491200412
  • Molar Volume: 7.627470956378351
  • Full Formula: Na3 Nb34 Al2 O64
  • Reduced Formula: Na3Nb34Al2O64
  • Formula Anonymous: A2B3C34D64
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -963.33503511
  • Final energy per atom: -9.35276733116505
  • 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.