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-92805
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['K', 'Ni', 'Se']
  • Chemical System: K-Ni-Se
  • Density: 5.213686679678085
  • Atomic Density: 0.049931688567406804
  • Unit Cell Volume: 100.1368097786258
  • Molar Volume: 12.060759274884582
  • Full Formula: K1 Ni2 Se2
  • Reduced Formula: K(NiSe)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm