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-98123
  • 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: 36
  • Number of elements: 3
  • Element list: ['H', 'Cl', 'O']
  • Chemical System: Cl-H-O
  • Density: 2.259258849840565
  • Atomic Density: 0.10335631391429467
  • Unit Cell Volume: 348.3096352473637
  • Molar Volume: 5.826582365344115
  • Full Formula: H12 Cl4 O20
  • Reduced Formula: H3ClO5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm