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-110283
  • 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: 10
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Ti', 'Cu', 'O']
  • Chemical System: Ba-Cu-La-O-Ti
  • Density: 6.465979548976182
  • Atomic Density: 0.0805121339239557
  • Unit Cell Volume: 124.20488083752782
  • Molar Volume: 7.479792754826192
  • Full Formula: Ba1 La1 Ti1 Cu1 O6
  • Reduced Formula: BaLaTiCuO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m