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-36700
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ba', 'W', 'N']
  • Chemical System: Ba-N-W
  • Density: 6.997218868830721
  • Atomic Density: 0.05801174789962068
  • Unit Cell Volume: 172.37887776288477
  • Molar Volume: 10.380898659389262
  • Full Formula: Ba2 W2 N6
  • Reduced Formula: BaWN3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m