Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1223601

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-1223601
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 6
  • Element list: ['K', 'Na', 'Sr', 'Mg', 'Si', 'O']
  • Chemical System: K-Mg-Na-O-Si-Sr
  • Density: 2.994847055073644
  • Atomic Density: 0.08198811598703509
  • Unit Cell Volume: 487.87558438744054
  • Molar Volume: 7.345138606371064
  • Full Formula: K1 Na1 Sr1 Mg5 Si8 O24
  • Reduced Formula: KNaSrMg5(SiO3)8
  • Formula Anonymous: ABCD5E8F24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -293.50113811
  • Final energy per atom: -7.33752845275
  • 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.