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-54556
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['K', 'Mo', 'Cl']
  • Chemical System: Cl-K-Mo
  • Density: 2.8947274630643536
  • Atomic Density: 0.03884658168261765
  • Unit Cell Volume: 720.7841407711022
  • Molar Volume: 15.502369833211546
  • Full Formula: K6 Mo4 Cl18
  • Reduced Formula: K3Mo2Cl9
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m