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-10083
  • 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: 16
  • Number of elements: 3
  • Element list: ['Li', 'Al', 'Se']
  • Chemical System: Al-Li-Se
  • Density: 3.4222098062978406
  • Atomic Density: 0.042970718217758136
  • Unit Cell Volume: 372.34658073245373
  • Molar Volume: 14.014522004222126
  • Full Formula: Li4 Al4 Se8
  • Reduced Formula: LiAlSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2