Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-628617

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-628617
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['Cs', 'K', 'Cu', 'Si', 'O']
  • Chemical System: Cs-Cu-K-O-Si
  • Density: 4.108249815203212
  • Atomic Density: 0.04904638898163891
  • Unit Cell Volume: 693.2212688018336
  • Molar Volume: 12.278458995736584
  • Full Formula: Cs8 K4 Cu2 Si4 O16
  • Reduced Formula: Cs4K2Cu(SiO4)2
  • Formula Anonymous: AB2C2D4E8
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -198.01670459
  • Final energy per atom: -5.824020723235294
  • 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.