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-56828
  • 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: 20
  • Number of elements: 3
  • Element list: ['K', 'Mn', 'Cl']
  • Chemical System: Cl-K-Mn
  • Density: 2.7766390372793253
  • Atomic Density: 0.041720807257238215
  • Unit Cell Volume: 479.3771097641013
  • Molar Volume: 14.434382160606942
  • Full Formula: K4 Mn4 Cl12
  • Reduced Formula: KMnCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm