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-56708
  • 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: 14
  • Number of elements: 4
  • Element list: ['Lu', 'Mo', 'Cl', 'O']
  • Chemical System: Cl-Lu-Mo-O
  • Density: 5.27589607336041
  • Atomic Density: 0.06005150740776273
  • Unit Cell Volume: 233.13319855465028
  • Molar Volume: 10.028292410893803
  • Full Formula: Lu2 Mo2 Cl2 O8
  • Reduced Formula: LuMoClO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1