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  1. Third-Parties
  2. MatprojStructure
  3. mp-21600

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-21600
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Nb', 'Ni', 'B', 'O']
  • Chemical System: B-Nb-Ni-O
  • Density: 5.200736346364042
  • Atomic Density: 0.09876855584520138
  • Unit Cell Volume: 404.9871910923904
  • Molar Volume: 6.097224676888483
  • Full Formula: Nb4 Ni8 B4 O24
  • Reduced Formula: NbNi2BO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -323.98247508
  • Final energy per atom: -8.099561877
  • 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.