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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1725781
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cl', 'K', 'V']
  • Chemical System: Cl-K-V
  • Density: 2.770755729159773
  • Atomic Density: 0.042479590044192925
  • Unit Cell Volume: 235.4071682329483
  • Molar Volume: 14.176551030118151
  • Full Formula: K2 V2 Cl6
  • Reduced Formula: KVCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm