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  1. Third-Parties
  2. MatprojStructure
  3. mp-671957

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-671957
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Na', 'Zr', 'Cu', 'F']
  • Chemical System: Cu-F-Na-Zr
  • Density: 3.551458698322933
  • Atomic Density: 0.0671199678708028
  • Unit Cell Volume: 223.48044070690037
  • Molar Volume: 8.972204473625252
  • Full Formula: Na1 Zr2 Cu1 F11
  • Reduced Formula: NaZr2CuF11
  • Formula Anonymous: ABC2D11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -78.42716089999999
  • Final energy per atom: -5.228477393333333
  • 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.