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-56688
  • 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: 19
  • Number of elements: 5
  • Element list: ['Ag', 'Mo', 'Cl', 'O', 'F']
  • Chemical System: Ag-Cl-F-Mo-O
  • Density: 6.0443844305536825
  • Atomic Density: 0.06627508707870361
  • Unit Cell Volume: 286.6838934128739
  • Molar Volume: 9.086582946090333
  • Full Formula: Ag6 Mo2 Cl1 O7 F3
  • Reduced Formula: Ag6Mo2ClO7F3
  • Formula Anonymous: AB2C3D6E7
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1