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-9990
  • 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: 18
  • Number of elements: 4
  • Element list: ['Ca', 'B', 'O', 'F']
  • Chemical System: B-Ca-F-O
  • Density: 2.8699016787413947
  • Atomic Density: 0.07859539062943194
  • Unit Cell Volume: 229.02106415970235
  • Molar Volume: 7.662206029859549
  • Full Formula: Ca5 B3 O9 F1
  • Reduced Formula: Ca5B3O9F
  • Formula Anonymous: AB3C5D9
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m