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-29465
  • 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: 18
  • Number of elements: 4
  • Element list: ['Cu', 'H', 'Cl', 'O']
  • Chemical System: Cl-Cu-H-O
  • Density: 3.5225214272169243
  • Atomic Density: 0.08939492570029069
  • Unit Cell Volume: 201.35371061605423
  • Molar Volume: 6.7365577104343615
  • Full Formula: Cu4 H6 Cl2 O6
  • Reduced Formula: Cu2H3ClO3
  • Formula Anonymous: AB2C3D3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m