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-50626
  • 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: 20
  • Number of elements: 3
  • Element list: ['Li', 'Bi', 'S']
  • Chemical System: Bi-Li-S
  • Density: 3.351533190045779
  • Atomic Density: 0.054264428701746185
  • Unit Cell Volume: 368.56556824593304
  • Molar Volume: 11.097768656331974
  • Full Formula: Li10 Bi2 S8
  • Reduced Formula: Li5BiS4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2