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-114936
  • 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: 4
  • Number of elements: 3
  • Element list: ['Sr', 'P', 'F']
  • Chemical System: F-P-Sr
  • Density: 3.803511179011208
  • Atomic Density: 0.04068213578038923
  • Unit Cell Volume: 98.32325474731331
  • Molar Volume: 14.802912001741477
  • Full Formula: Sr2 P1 F1
  • Reduced Formula: Sr2PF
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m