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-36810
  • 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: 8
  • Number of elements: 3
  • Element list: ['Cu', 'Cl', 'O']
  • Chemical System: Cl-Cu-O
  • Density: 3.212855363013628
  • Atomic Density: 0.05907967078615156
  • Unit Cell Volume: 135.41036863521626
  • Molar Volume: 10.193253753559517
  • Full Formula: Cu2 Cl2 O4
  • Reduced Formula: CuClO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222