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-103370
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Np', 'S', 'O']
  • Chemical System: Np-O-S
  • Density: 10.506109291352924
  • Atomic Density: 0.05879346372524565
  • Unit Cell Volume: 85.04346713379675
  • Molar Volume: 10.242874595963157
  • Full Formula: Np2 S1 O2
  • Reduced Formula: Np2SO2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1