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  1. Third-Parties
  2. MatprojStructure
  3. mp-5387

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-5387
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Y', 'Nb', 'O']
  • Chemical System: Nb-O-Y
  • Density: 5.316367851834937
  • Atomic Density: 0.07814801111921235
  • Unit Cell Volume: 153.5547716204111
  • Molar Volume: 7.706070408898074
  • Full Formula: Y2 Nb2 O8
  • Reduced Formula: YNbO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -115.32658726
  • Final energy per atom: -9.610548938333332
  • 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.