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  1. Third-Parties
  2. MatprojStructure
  3. mp-555865

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-555865
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 4
  • Element list: ['Na', 'Sr', 'Al', 'F']
  • Chemical System: Al-F-Na-Sr
  • Density: 3.767636333251713
  • Atomic Density: 0.07577747241773496
  • Unit Cell Volume: 646.6301716937717
  • Molar Volume: 7.947138599189512
  • Full Formula: Na2 Sr7 Al6 F34
  • Reduced Formula: Na2Sr7Al6F34
  • Formula Anonymous: A2B6C7D34
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -296.78657871
  • Final energy per atom: -6.056868953265306
  • 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.