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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220426

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-1220426
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Nb', 'Ni', 'Mo']
  • Chemical System: Mo-Nb-Ni
  • Density: 9.270620762464626
  • Atomic Density: 0.08255568728130737
  • Unit Cell Volume: 96.90428683296052
  • Molar Volume: 7.294640694443786
  • Full Formula: Nb1 Ni6 Mo1
  • Reduced Formula: NbNi6Mo
  • Formula Anonymous: ABC6
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -57.19686654
  • Final energy per atom: -7.1496083175
  • 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.