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  1. Third-Parties
  2. MatprojStructure
  3. mp-558954

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-558954
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 6
  • Element list: ['Na', 'Sr', 'Al', 'P', 'O', 'F']
  • Chemical System: Al-F-Na-O-P-Sr
  • Density: 3.524838886357103
  • Atomic Density: 0.0784532334354135
  • Unit Cell Volume: 1019.715778392485
  • Molar Volume: 7.67608994084064
  • Full Formula: Na8 Sr8 Al8 P4 O16 F36
  • Reduced Formula: Na2Sr2Al2PO4F9
  • Formula Anonymous: AB2C2D2E4F9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -512.29413453
  • Final energy per atom: -6.403676681624999
  • 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.