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-34675
  • 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: 22
  • Number of elements: 4
  • Element list: ['K', 'Re', 'Cl', 'F']
  • Chemical System: Cl-F-K-Re
  • Density: 3.74592894225087
  • Atomic Density: 0.05478445512212113
  • Unit Cell Volume: 401.5737667000495
  • Molar Volume: 10.99242612995954
  • Full Formula: K6 Re2 Cl2 F12
  • Reduced Formula: K3ReClF6
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm