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-119425
  • 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: 30
  • Number of elements: 3
  • Element list: ['Fe', 'O', 'F']
  • Chemical System: F-Fe-O
  • Density: 4.618164387517196
  • Atomic Density: 0.09154184020212627
  • Unit Cell Volume: 327.71899640382344
  • Molar Volume: 6.578566420232528
  • Full Formula: Fe10 O9 F11
  • Reduced Formula: Fe10O9F11
  • Formula Anonymous: A9B10C11
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1