Download Simmate

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

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-10890
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['K', 'Cr', 'S']
  • Chemical System: Cr-K-S
  • Density: 3.631091272111228
  • Atomic Density: 0.055100406741096696
  • Unit Cell Volume: 254.08160897582061
  • Molar Volume: 10.929394384140508
  • Full Formula: K1 Cr5 S8
  • Reduced Formula: KCr5S8
  • Formula Anonymous: AB5C8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m