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-112579
  • 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: 18
  • Number of elements: 5
  • Element list: ['Na', 'V', 'H', 'N', 'F']
  • Chemical System: F-H-N-Na-V
  • Density: 2.518674954423988
  • Atomic Density: 0.12188498572518065
  • Unit Cell Volume: 147.68020763923604
  • Molar Volume: 4.940838877052816
  • Full Formula: Na1 V1 H8 N2 F6
  • Reduced Formula: NaVH8(NF3)2
  • Formula Anonymous: ABC2D6E8
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m