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-25646
  • 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: 42
  • Number of elements: 4
  • Element list: ['Ca', 'As', 'O', 'F']
  • Chemical System: As-Ca-F-O
  • Density: 3.700055695435342
  • Atomic Density: 0.07355660153182951
  • Unit Cell Volume: 570.9888592640553
  • Molar Volume: 8.187084006857075
  • Full Formula: Ca10 As6 O24 F2
  • Reduced Formula: Ca5As3O12F
  • Formula Anonymous: AB3C5D12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1