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-99743
  • 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: 9
  • Number of elements: 4
  • Element list: ['Mg', 'Al', 'Cu', 'Se']
  • Chemical System: Al-Cu-Mg-Se
  • Density: 4.80375850865041
  • Atomic Density: 0.04667922955244666
  • Unit Cell Volume: 192.8052387815872
  • Molar Volume: 12.901114302312545
  • Full Formula: Mg1 Al1 Cu3 Se4
  • Reduced Formula: MgAlCu3Se4
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m