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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215379

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-1215379
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Co', 'Ni']
  • Chemical System: Co-Ni-Zr
  • Density: 7.126495060084947
  • Atomic Density: 0.053365488170070856
  • Unit Cell Volume: 112.4322142594959
  • Molar Volume: 11.284710337152722
  • Full Formula: Zr4 Co1 Ni1
  • Reduced Formula: Zr4CoNi
  • Formula Anonymous: ABC4
  • Spacegroup Number: 97
  • Spacegroup Symbol: I422
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -48.79738245
  • Final energy per atom: -8.132897075
  • 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.