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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225975

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-1225975
  • 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: 18
  • Number of elements: 4
  • Element list: ['Cs', 'Cr', 'Co', 'F']
  • Chemical System: Co-Cr-Cs-F
  • Density: 4.02183527801048
  • Atomic Density: 0.06091816455241351
  • Unit Cell Volume: 295.4783705689777
  • Molar Volume: 9.885624106121252
  • Full Formula: Cs2 Cr2 Co2 F12
  • Reduced Formula: CsCrCoF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -110.02408751
  • Final energy per atom: -6.112449306111111
  • 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.