Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-684127

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-684127
  • 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: 154
  • Number of elements: 3
  • Element list: ['K', 'Na', 'In']
  • Chemical System: In-K-Na
  • Density: 4.672278072365952
  • Atomic Density: 0.034796916627072044
  • Unit Cell Volume: 4425.679483342148
  • Molar Volume: 17.306535589175645
  • Full Formula: K6 Na52 In96
  • Reduced Formula: K3(Na13In24)2
  • Formula Anonymous: A3B26C48
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -362.2691548
  • Final energy per atom: -2.352397109090909
  • 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.