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-79522
  • 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: 4
  • Number of elements: 2
  • Element list: ['Cu', 'O']
  • Chemical System: Cu-O
  • Density: 5.947391464495774
  • Atomic Density: 0.09005179071673118
  • Unit Cell Volume: 44.41888349097337
  • Molar Volume: 6.687419219617046
  • Full Formula: Cu2 O2
  • Reduced Formula: CuO
  • Formula Anonymous: AB
  • Spacegroup Number: 131
  • Spacegroup Symbol: P4_2/mmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm