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  1. Third-Parties
  2. MatprojStructure
  3. mp-766465

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-766465
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Sr', 'Mn', 'C', 'O', 'F']
  • Chemical System: C-F-Mn-O-Sr
  • Density: 3.7831432221109003
  • Atomic Density: 0.07097777390805612
  • Unit Cell Volume: 676.2680393749557
  • Molar Volume: 8.484544426260847
  • Full Formula: Sr8 Mn4 C4 O12 F20
  • Reduced Formula: Sr2MnCO3F5
  • Formula Anonymous: ABC2D3E5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -335.25294755
  • Final energy per atom: -6.984436407291667
  • 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.