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  1. Third-Parties
  2. MatprojStructure
  3. mp-676467

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-676467
  • 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: 36
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'P', 'O', 'F']
  • Chemical System: Al-F-Na-O-P
  • Density: 2.984665599762041
  • Atomic Density: 0.08747211072269058
  • Unit Cell Volume: 411.55974975989085
  • Molar Volume: 6.884640956123442
  • Full Formula: Na6 Al4 P4 O16 F6
  • Reduced Formula: Na3Al2P2O8F3
  • Formula Anonymous: A2B2C3D3E8
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -245.74574738
  • Final energy per atom: -6.8262707605555555
  • 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.