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  1. Third-Parties
  2. MatprojStructure
  3. mp-505278

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-505278
  • 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: 30
  • Number of elements: 3
  • Element list: ['Zr', 'Ni', 'P']
  • Chemical System: Ni-P-Zr
  • Density: 6.537312838996103
  • Atomic Density: 0.05558980213926974
  • Unit Cell Volume: 539.6673282779577
  • Molar Volume: 10.833175381543299
  • Full Formula: Zr18 Ni4 P8
  • Reduced Formula: Zr9(NiP2)2
  • Formula Anonymous: A2B4C9
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -249.71482943
  • Final energy per atom: -8.323827647666667
  • 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.