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-31179
  • 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: 7
  • Number of elements: 3
  • Element list: ['Na', 'H', 'F']
  • Chemical System: F-H-Na
  • Density: 2.1939549638434213
  • Atomic Density: 0.07520354414061023
  • Unit Cell Volume: 93.08071953247175
  • Molar Volume: 8.007788500951804
  • Full Formula: Na2 H1 F4
  • Reduced Formula: Na2HF4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m