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-14874
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ti', 'F']
  • Chemical System: F-Ti
  • Density: 2.8478295964230753
  • Atomic Density: 0.06541929933195088
  • Unit Cell Volume: 122.28807220032067
  • Molar Volume: 9.205449800742175
  • Full Formula: Ti2 F6
  • Reduced Formula: TiF3
  • Formula Anonymous: AB3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m