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  1. Third-Parties
  2. MatprojStructure
  3. mp-1027833

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-1027833
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Mg', 'Zr', 'Nb']
  • Chemical System: Mg-Nb-Zr
  • Density: 2.4558477621138803
  • Atomic Density: 0.045124180615404456
  • Unit Cell Volume: 354.5770755677264
  • Molar Volume: 13.345706620862535
  • Full Formula: Mg14 Zr1 Nb1
  • Reduced Formula: Mg14ZrNb
  • Formula Anonymous: ABC14
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -39.1744721
  • Final energy per atom: -2.44840450625
  • 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.