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-88329
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['P', 'H', 'N', 'O', 'F']
  • Chemical System: F-H-N-O-P
  • Density: 1.9857451894255063
  • Atomic Density: 0.10048445727580256
  • Unit Cell Volume: 398.0715135895182
  • Molar Volume: 5.993106718455828
  • Full Formula: P4 H16 N4 O8 F8
  • Reduced Formula: PH4N(OF)2
  • Formula Anonymous: ABC2D2E4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm