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  1. Third-Parties
  2. MatprojStructure
  3. mp-554887

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-554887
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['K', 'U', 'Nb', 'O']
  • Chemical System: K-Nb-O-U
  • Density: 5.678364396161121
  • Atomic Density: 0.06603935236628193
  • Unit Cell Volume: 1090.2590261736339
  • Molar Volume: 9.119018500664094
  • Full Formula: K8 U8 Nb8 O48
  • Reduced Formula: KUNbO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -649.90686476
  • Final energy per atom: -9.026484232777777
  • 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.