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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56211
  • 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: 27
  • Number of elements: 4
  • Element list: ['K', 'Sr', 'Nb', 'Cl']
  • Chemical System: Cl-K-Nb-Sr
  • Density: 3.4592024712964737
  • Atomic Density: 0.04131445900224544
  • Unit Cell Volume: 653.5242298230881
  • Molar Volume: 14.576351489130468
  • Full Formula: K2 Sr1 Nb6 Cl18
  • Reduced Formula: K2Sr(NbCl3)6
  • Formula Anonymous: AB2C6D18
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3