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  1. Third-Parties
  2. MatprojStructure
  3. mp-14722

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-14722
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Na', 'Sr', 'Al', 'F']
  • Chemical System: Al-F-Na-Sr
  • Density: 3.4866550395093996
  • Atomic Density: 0.07511441674403267
  • Unit Cell Volume: 958.5376965031138
  • Molar Volume: 8.01729018348321
  • Full Formula: Na8 Sr8 Al8 F48
  • Reduced Formula: NaSrAlF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -421.53787948
  • Final energy per atom: -5.854692770555555
  • 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.