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  1. Third-Parties
  2. MatprojStructure
  3. mp-1185624

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-1185624
  • 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: 4
  • Number of elements: 3
  • Element list: ['Mg', 'Zr', 'Ni']
  • Chemical System: Mg-Ni-Zr
  • Density: 6.282058153325652
  • Atomic Density: 0.06497015397822986
  • Unit Cell Volume: 61.56673110764546
  • Molar Volume: 9.269088021582792
  • Full Formula: Mg1 Zr1 Ni2
  • Reduced Formula: MgZrNi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -23.06625604
  • Final energy per atom: -5.76656401
  • 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.