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  1. Third-Parties
  2. MatprojStructure
  3. mp-756127

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-756127
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ta', 'Nb', 'O']
  • Chemical System: Nb-O-Ta
  • Density: 4.498391319971998
  • Atomic Density: 0.0535902062698793
  • Unit Cell Volume: 522.48352728841
  • Molar Volume: 11.23739052182895
  • Full Formula: Ta4 Nb4 O20
  • Reduced Formula: TaNbO5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -274.87821291
  • Final energy per atom: -9.8170790325
  • 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.