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-56745
  • 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: 24
  • Number of elements: 3
  • Element list: ['Na', 'P', 'Se']
  • Chemical System: Na-P-Se
  • Density: 3.335806853941689
  • Atomic Density: 0.038406437545740045
  • Unit Cell Volume: 624.895239799767
  • Molar Volume: 15.680029559700632
  • Full Formula: Na8 P4 Se12
  • Reduced Formula: Na2PSe3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm