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-116242
  • 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: 2
  • Number of elements: 2
  • Element list: ['Li', 'As']
  • Chemical System: As-Li
  • Density: 3.0721854380223452
  • Atomic Density: 0.04520045333274637
  • Unit Cell Volume: 44.24734383252436
  • Molar Volume: 13.323186640778978
  • Full Formula: Li1 As1
  • Reduced Formula: LiAs
  • Formula Anonymous: AB
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2