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  1. Third-Parties
  2. MatprojStructure
  3. mp-558380

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-558380
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Cr', 'F']
  • Chemical System: Cr-F
  • Density: 3.4490751947763756
  • Atomic Density: 0.07306896857267307
  • Unit Cell Volume: 191.59980321982857
  • Molar Volume: 8.241721318415063
  • Full Formula: Cr4 F10
  • Reduced Formula: Cr2F5
  • Formula Anonymous: A2B5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -98.97191322
  • Final energy per atom: -7.069422372857143
  • 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.