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  1. Third-Parties
  2. MatprojStructure
  3. mp-776082

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-776082
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ti', 'Nb', 'O']
  • Chemical System: Nb-O-Ti
  • Density: 4.165435811117882
  • Atomic Density: 0.08258325345175481
  • Unit Cell Volume: 290.6158209669085
  • Molar Volume: 7.292205753940342
  • Full Formula: Ti6 Nb2 O16
  • Reduced Formula: Ti3NbO8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -224.93888845
  • Final energy per atom: -9.372453685416668
  • 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.