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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220578

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-1220578
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Nb', 'Ni', 'B', 'Ru']
  • Chemical System: B-Nb-Ni-Ru
  • Density: 9.908118568907632
  • Atomic Density: 0.0756647808315208
  • Unit Cell Volume: 264.32376833989724
  • Molar Volume: 7.958974695782463
  • Full Formula: Nb5 Ni1 B4 Ru10
  • Reduced Formula: Nb5Ni(B2Ru5)2
  • Formula Anonymous: AB4C5D10
  • Spacegroup Number: 83
  • Spacegroup Symbol: P4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -183.5823626
  • Final energy per atom: -9.17911813
  • 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.