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-42448
  • 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: 19
  • Number of elements: 4
  • Element list: ['Li', 'V', 'O', 'F']
  • Chemical System: F-Li-O-V
  • Density: 3.592788363541008
  • Atomic Density: 0.09267683706658313
  • Unit Cell Volume: 205.0134704786004
  • Molar Volume: 6.4979998785170325
  • Full Formula: Li3 V4 O3 F9
  • Reduced Formula: Li3V4(OF3)3
  • Formula Anonymous: A3B3C4D9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1