Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-851120

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-851120
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 6
  • Element list: ['K', 'Na', 'Li', 'Zr', 'Si', 'O']
  • Chemical System: K-Li-Na-O-Si-Zr
  • Density: 2.71090281308226
  • Atomic Density: 0.07384691424160805
  • Unit Cell Volume: 1354.152722926591
  • Molar Volume: 8.15489830800121
  • Full Formula: K2 Na4 Li6 Zr4 Si24 O60
  • Reduced Formula: KNa2Li3Zr2(Si2O5)6
  • Formula Anonymous: AB2C2D3E12F30
  • Spacegroup Number: 192
  • Spacegroup Symbol: P6/mcc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -790.64722096
  • Final energy per atom: -7.9064722096
  • 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.