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-117421
  • 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: 12
  • Number of elements: 4
  • Element list: ['Li', 'Y', 'Ni', 'O']
  • Chemical System: Li-Ni-O-Y
  • Density: 4.5946186547668955
  • Atomic Density: 0.10276103396486783
  • Unit Cell Volume: 116.7757810232095
  • Molar Volume: 5.860334922339204
  • Full Formula: Li3 Y1 Ni2 O6
  • Reduced Formula: Li3Y(NiO3)2
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2