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  1. Third-Parties
  2. MatprojStructure
  3. mp-773070

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-773070
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['K', 'Nb', 'O']
  • Chemical System: K-Nb-O
  • Density: 4.400150295908235
  • Atomic Density: 0.06952475957840484
  • Unit Cell Volume: 690.4015244507128
  • Molar Volume: 8.661864919084945
  • Full Formula: K6 Nb12 O30
  • Reduced Formula: KNb2O5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -411.76012689999993
  • Final energy per atom: -8.578335977083333
  • 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.