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  1. Third-Parties
  2. MatprojStructure
  3. mp-1588

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-1588
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 2
  • Element list: ['C', 'F']
  • Chemical System: C-F
  • Density: 1.7210133562689294
  • Atomic Density: 0.07036994889406649
  • Unit Cell Volume: 511.5820114377755
  • Molar Volume: 8.55783023100615
  • Full Formula: C22 F14
  • Reduced Formula: C11F7
  • Formula Anonymous: A7B11
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -254.79283829
  • Final energy per atom: -7.077578841388888
  • 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.