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  1. Third-Parties
  2. MatprojStructure
  3. mp-1099821

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-1099821
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Mo', 'W', 'O']
  • Chemical System: K-Mo-Na-O-W
  • Density: 6.214539342055011
  • Atomic Density: 0.07767477540737233
  • Unit Cell Volume: 257.48384717056734
  • Molar Volume: 7.7530198554374214
  • Full Formula: K2 Na2 Mo1 W3 O12
  • Reduced Formula: K2Na2Mo(WO4)3
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -157.09825073
  • Final energy per atom: -7.8549125365
  • 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.