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  1. Third-Parties
  2. MatprojStructure
  3. mp-555467

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-555467
  • 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: 48
  • Number of elements: 5
  • Element list: ['Sr', 'Al', 'C', 'O', 'F']
  • Chemical System: Al-C-F-O-Sr
  • Density: 3.685128993433863
  • Atomic Density: 0.0745497330499057
  • Unit Cell Volume: 643.8654846405344
  • Molar Volume: 8.078017872939409
  • Full Formula: Sr8 Al4 C4 O12 F20
  • Reduced Formula: Sr2AlCO3F5
  • Formula Anonymous: ABC2D3E5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -331.37206217
  • Final energy per atom: -6.903584628541666
  • 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.