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  1. Third-Parties
  2. MatprojStructure
  3. mp-22724

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-22724
  • 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: 3
  • Element list: ['Ce', 'Zr', 'F']
  • Chemical System: Ce-F-Zr
  • Density: 3.844947499276577
  • Atomic Density: 0.05719924495633266
  • Unit Cell Volume: 314.6894686064764
  • Molar Volume: 10.528357086876678
  • Full Formula: Ce2 Zr2 F14
  • Reduced Formula: CeZrF7
  • Formula Anonymous: ABC7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -130.94535453
  • Final energy per atom: -7.2747419183333335
  • 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.