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-30064
  • 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: 14
  • Number of elements: 5
  • Element list: ['Ag', 'H', 'I', 'O', 'F']
  • Chemical System: Ag-F-H-I-O
  • Density: 5.569283281999651
  • Atomic Density: 0.06183859856227566
  • Unit Cell Volume: 226.39581629426888
  • Molar Volume: 9.738481951422777
  • Full Formula: Ag4 H4 I2 O2 F2
  • Reduced Formula: Ag2H2IOF
  • Formula Anonymous: ABCD2E2
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2