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  1. Third-Parties
  2. MatprojStructure
  3. mp-2439

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-2439
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Zr', 'Ni']
  • Chemical System: Ni-Zr
  • Density: 8.519311052653425
  • Atomic Density: 0.08001927316474641
  • Unit Cell Volume: 74.98193575998866
  • Molar Volume: 7.525862860065488
  • Full Formula: Zr1 Ni5
  • Reduced Formula: ZrNi5
  • Formula Anonymous: AB5
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -39.36706757
  • Final energy per atom: -6.561177928333334
  • 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.