Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1076208

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-1076208
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Nb', 'W', 'O']
  • Chemical System: K-Na-Nb-O-W
  • Density: 5.257636520759389
  • Atomic Density: 0.06738897044823346
  • Unit Cell Volume: 2136.84819700009
  • Molar Volume: 8.936389322976911
  • Full Formula: K20 Na12 Nb16 W16 O80
  • Reduced Formula: K5Na3Nb4(WO5)4
  • Formula Anonymous: A3B4C4D5E20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1122.79581768
  • Final energy per atom: -7.797193178333334
  • 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.