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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218862

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-1218862
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Al', 'O', 'F']
  • Chemical System: Al-Ca-F-O-Sr
  • Density: 4.322498079299155
  • Atomic Density: 0.07201950128179817
  • Unit Cell Volume: 249.93230555109696
  • Molar Volume: 8.36181958055575
  • Full Formula: Sr4 Ca2 Al2 O8 F2
  • Reduced Formula: Sr2CaAlO4F
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 69
  • Spacegroup Symbol: Fmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -123.71179541
  • Final energy per atom: -6.872877522777777
  • 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.