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-121000
  • 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: ['Na', 'H', 'F']
  • Chemical System: F-H-Na
  • Density: 2.47932388530688
  • Atomic Density: 0.09633650504942799
  • Unit Cell Volume: 41.52112429185275
  • Molar Volume: 6.251151374974815
  • Full Formula: Na1 H1 F2
  • Reduced Formula: NaHF2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m