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-53485
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ca', 'U', 'N']
  • Chemical System: Ca-N-U
  • Density: 5.810228026796554
  • Atomic Density: 0.06756626619986811
  • Unit Cell Volume: 118.40228045656927
  • Molar Volume: 8.912939990180716
  • Full Formula: Ca3 U1 N4
  • Reduced Formula: Ca3UN4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm