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  1. Third-Parties
  2. MatprojStructure
  3. mp-651075

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-651075
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 3
  • Element list: ['Nb', 'Ni', 'O']
  • Chemical System: Nb-Ni-O
  • Density: 5.713609250537252
  • Atomic Density: 0.09141689572633876
  • Unit Cell Volume: 1312.6676315855905
  • Molar Volume: 6.587557707086874
  • Full Formula: Nb16 Ni32 O72
  • Reduced Formula: Nb2Ni4O9
  • Formula Anonymous: A2B4C9
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -914.29628597
  • Final energy per atom: -7.619135716416666
  • 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.