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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104738

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-1104738
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Mg', 'Al', 'O', 'F']
  • Chemical System: Al-F-Mg-O
  • Density: 2.633784690759845
  • Atomic Density: 0.07862347459221947
  • Unit Cell Volume: 165.34502026811307
  • Molar Volume: 7.659469123227922
  • Full Formula: Mg1 Al2 O2 F8
  • Reduced Formula: MgAl2(OF4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 69
  • Spacegroup Symbol: Fmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -72.01151847
  • Final energy per atom: -5.539347574615385
  • 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.