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  1. Third-Parties
  2. MatprojStructure
  3. mp-554702

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-554702
  • 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: 15
  • Number of elements: 4
  • Element list: ['Na', 'Zr', 'Ni', 'F']
  • Chemical System: F-Na-Ni-Zr
  • Density: 3.5581041685762145
  • Atomic Density: 0.0679352821808976
  • Unit Cell Volume: 220.79837631435907
  • Molar Volume: 8.864526011630135
  • Full Formula: Na1 Zr2 Ni1 F11
  • Reduced Formula: NaZr2NiF11
  • Formula Anonymous: ABC2D11
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -98.93216289
  • Final energy per atom: -6.595477526
  • 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.