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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218962

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-1218962
  • 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: 142
  • Number of elements: 4
  • Element list: ['Sr', 'Al', 'O', 'F']
  • Chemical System: Al-F-O-Sr
  • Density: 3.8999336496490513
  • Atomic Density: 0.0689018868166927
  • Unit Cell Volume: 2060.90147252104
  • Molar Volume: 8.740168140854209
  • Full Formula: Sr30 Al12 O4 F96
  • Reduced Formula: Sr15Al6(OF24)2
  • Formula Anonymous: A2B6C15D48
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -858.64756557
  • Final energy per atom: -6.046813842042253
  • 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.