Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1195601

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-1195601
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Cu', 'S', 'O']
  • Chemical System: Cu-K-Na-O-S
  • Density: 3.12594485734201
  • Atomic Density: 0.0703590390301044
  • Unit Cell Volume: 1705.537790939069
  • Molar Volume: 8.559157207112106
  • Full Formula: K10 Na6 Cu16 S16 O72
  • Reduced Formula: K5Na3Cu8(S2O9)4
  • Formula Anonymous: A3B5C8D8E36
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -723.5487388600001
  • Final energy per atom: -6.029572823833334
  • 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.