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-54489
  • 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: ['Ba', 'Ho', 'Cu', 'O']
  • Chemical System: Ba-Cu-Ho-O
  • Density: 6.666188363758835
  • Atomic Density: 0.0663349322745681
  • Unit Cell Volume: 180.90016207946945
  • Molar Volume: 9.078385329578161
  • Full Formula: Ba2 Ho1 Cu3 O6
  • Reduced Formula: Ba2Ho(CuO2)3
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm