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-22782
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Ba', 'Li', 'Ta', 'O']
  • Chemical System: Ba-Li-O-Ta
  • Density: 7.5420361785702354
  • Atomic Density: 0.07035816855011293
  • Unit Cell Volume: 568.5196306880816
  • Molar Volume: 8.559263102067108
  • Full Formula: Ba8 Li2 Ta6 O24
  • Reduced Formula: Ba4LiTa3O12
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm