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  1. Third-Parties
  2. MatprojStructure
  3. mp-637263

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-637263
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'Ni']
  • Chemical System: Al-Ni-Zr
  • Density: 6.91006133722161
  • Atomic Density: 0.05796740938614677
  • Unit Cell Volume: 345.02145622501564
  • Molar Volume: 10.388838873036113
  • Full Formula: Zr10 Al2 Ni8
  • Reduced Formula: Zr5AlNi4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 84
  • Spacegroup Symbol: P4_2/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -148.41322308
  • Final energy per atom: -7.420661153999999
  • 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.