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-121011
  • 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: 6
  • Number of elements: 3
  • Element list: ['P', 'H', 'F']
  • Chemical System: F-H-P
  • Density: 1.7088658388060325
  • Atomic Density: 0.11433647372878473
  • Unit Cell Volume: 52.47669273264873
  • Molar Volume: 5.267033837587994
  • Full Formula: P1 H4 F1
  • Reduced Formula: PH4F
  • Formula Anonymous: ABC4
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m