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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223705

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-1223705
  • 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: 39
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'W', 'O']
  • Chemical System: K-Nb-O-W
  • Density: 5.4965364098230465
  • Atomic Density: 0.06685191226446799
  • Unit Cell Volume: 583.3789741977004
  • Molar Volume: 9.008180253956306
  • Full Formula: K3 Nb3 W6 O27
  • Reduced Formula: KNbW2O9
  • Formula Anonymous: ABC2D9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -341.22108493
  • Final energy per atom: -8.749258587948718
  • 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.