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-96978
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['K', 'V', 'O', 'F']
  • Chemical System: F-K-O-V
  • Density: 3.081251969469336
  • Atomic Density: 0.06805319260006472
  • Unit Cell Volume: 470.2204081454008
  • Molar Volume: 8.849167143988295
  • Full Formula: K8 V4 O8 F12
  • Reduced Formula: K2VO2F3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm