Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-555568

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-555568
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['K', 'Zn', 'Si', 'O']
  • Chemical System: K-O-Si-Zn
  • Density: 2.6469169220416005
  • Atomic Density: 0.06514900335315665
  • Unit Cell Volume: 1043.7611705491302
  • Molar Volume: 9.24364218951357
  • Full Formula: K8 Zn4 Si16 O40
  • Reduced Formula: K2Zn(Si2O5)2
  • Formula Anonymous: AB2C4D10
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -499.14853553
  • Final energy per atom: -7.340419640147059
  • 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.