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  1. Third-Parties
  2. MatprojStructure
  3. mp-555582

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-555582
  • 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: 46
  • Number of elements: 3
  • Element list: ['C', 'Se', 'F']
  • Chemical System: C-F-Se
  • Density: 2.0555717906674458
  • Atomic Density: 0.06892633333834727
  • Unit Cell Volume: 667.3791825570363
  • Molar Volume: 8.737068212287411
  • Full Formula: C24 Se2 F20
  • Reduced Formula: C12SeF10
  • Formula Anonymous: AB10C12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -307.71077303000004
  • Final energy per atom: -6.689364631086957
  • 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.