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  1. Third-Parties
  2. MatprojStructure
  3. mp-560208

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-560208
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'As', 'O']
  • Chemical System: As-K-Nb-O
  • Density: 3.282229367499298
  • Atomic Density: 0.05882296050690335
  • Unit Cell Volume: 1020.0098649057031
  • Molar Volume: 10.237738305084548
  • Full Formula: K12 Nb4 As8 O36
  • Reduced Formula: K3NbAs2O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -404.99939635
  • Final energy per atom: -6.7499899391666665
  • 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.