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-97754
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['Hf', 'Cl', 'O']
  • Chemical System: Cl-Hf-O
  • Density: 3.2442118552538313
  • Atomic Density: 0.0711928718028156
  • Unit Cell Volume: 589.9467030397128
  • Molar Volume: 8.45890973000731
  • Full Formula: Hf2 Cl8 O32
  • Reduced Formula: Hf(ClO4)4
  • Formula Anonymous: AB4C16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m