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-49659
  • 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: 26
  • Number of elements: 3
  • Element list: ['Nb', 'Co', 'O']
  • Chemical System: Co-Nb-O
  • Density: 5.134602314451869
  • Atomic Density: 0.08979237059000596
  • Unit Cell Volume: 289.55689474684436
  • Molar Volume: 6.706739916130775
  • Full Formula: Nb4 Co4 O18
  • Reduced Formula: Nb2Co2O9
  • Formula Anonymous: A2B2C9
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm