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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198190

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-1198190
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Sr', 'Al', 'O', 'F']
  • Chemical System: Al-F-O-Sr
  • Density: 2.9903343144423546
  • Atomic Density: 0.06472130641103563
  • Unit Cell Volume: 494.4275969457823
  • Molar Volume: 9.304726826362648
  • Full Formula: Sr4 Al4 O8 F16
  • Reduced Formula: SrAl(OF2)2
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -182.30312331
  • Final energy per atom: -5.6969726034375
  • 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.