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-93836
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Na', 'Fe', 'As']
  • Chemical System: As-Fe-Na
  • Density: 4.400153081817659
  • Atomic Density: 0.05170193863999713
  • Unit Cell Volume: 116.04980698650903
  • Molar Volume: 11.647804547393147
  • Full Formula: Na2 Fe2 As2
  • Reduced Formula: NaFeAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm