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-2211
  • 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: 7
  • Number of elements: 3
  • Element list: ['Al', 'Cd', 'Se']
  • Chemical System: Al-Cd-Se
  • Density: 4.379075839670061
  • Atomic Density: 0.03828172725112885
  • Unit Cell Volume: 182.85486321136634
  • Molar Volume: 15.731110355848482
  • Full Formula: Al2 Cd1 Se4
  • Reduced Formula: Al2CdSe4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4