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-65757
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Si', 'Bi']
  • Chemical System: Ba-Bi-Si
  • Density: 7.475442611521308
  • Atomic Density: 0.030867485821130754
  • Unit Cell Volume: 129.5861938085591
  • Molar Volume: 19.509657491694586
  • Full Formula: Ba1 Si1 Bi2
  • Reduced Formula: BaSiBi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm