Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1224589

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-1224589
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 98
  • Number of elements: 5
  • Element list: ['K', 'Mg', 'Zn', 'Si', 'O']
  • Chemical System: K-Mg-O-Si-Zn
  • Density: 2.7306862300862638
  • Atomic Density: 0.07332393266716417
  • Unit Cell Volume: 1336.5349679871472
  • Molar Volume: 8.213062967225198
  • Full Formula: K4 Mg6 Zn4 Si24 O60
  • Reduced Formula: K2Mg3Zn2(Si2O5)6
  • Formula Anonymous: A2B2C3D12E30
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -748.80319434
  • Final energy per atom: -7.640848921836735
  • 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.