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  1. Third-Parties
  2. MatprojStructure
  3. mp-680655

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-680655
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 2
  • Element list: ['Zr', 'Ni']
  • Chemical System: Ni-Zr
  • Density: 7.878313026906997
  • Atomic Density: 0.06581411293234225
  • Unit Cell Volume: 1033.2130445928044
  • Molar Volume: 9.150227043538273
  • Full Formula: Zr28 Ni40
  • Reduced Formula: Zr7Ni10
  • Formula Anonymous: A7B10
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -500.67510658
  • Final energy per atom: -7.362869214411765
  • 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.