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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199626

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-1199626
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Sr', 'Al', 'P', 'O', 'F']
  • Chemical System: Al-F-O-P-Sr
  • Density: 3.5952416744857327
  • Atomic Density: 0.07195688271891547
  • Unit Cell Volume: 1111.7768999597063
  • Molar Volume: 8.369096231592238
  • Full Formula: Sr12 Al8 P4 O16 F40
  • Reduced Formula: Sr3Al2P(O2F5)2
  • Formula Anonymous: AB2C3D4E10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -522.56066463
  • Final energy per atom: -6.532008307875
  • 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.