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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195575

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-1195575
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['K', 'Na', 'V', 'H', 'O']
  • Chemical System: H-K-Na-O-V
  • Density: 2.6107622964605657
  • Atomic Density: 0.07404918580557514
  • Unit Cell Volume: 567.1905712815797
  • Molar Volume: 8.13262251905354
  • Full Formula: K2 Na2 V8 H8 O22
  • Reduced Formula: KNaV4H4O11
  • Formula Anonymous: ABC4D4E11
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -302.36810335
  • Final energy per atom: -7.1992405559523815
  • 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.