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  1. Third-Parties
  2. MatprojStructure
  3. mp-849406

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-849406
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 123
  • Number of elements: 6
  • Element list: ['K', 'Li', 'Nb', 'P', 'W', 'O']
  • Chemical System: K-Li-Nb-O-P-W
  • Density: 3.6574537064740262
  • Atomic Density: 0.06888551898772792
  • Unit Cell Volume: 1785.5712173978493
  • Molar Volume: 8.742244884694642
  • Full Formula: K4 Li3 Nb18 P12 W2 O84
  • Reduced Formula: K4Li3Nb18P12(WO42)2
  • Formula Anonymous: A2B3C4D12E18F84
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -1052.71559983
  • Final energy per atom: -8.558663413252033
  • 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.