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-106146
  • 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: 10
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Cr', 'Mo', 'O']
  • Chemical System: Ba-Cr-La-Mo-O
  • Density: 6.849622094726005
  • Atomic Density: 0.07930058885261143
  • Unit Cell Volume: 126.10246840141455
  • Molar Volume: 7.594068148967706
  • Full Formula: Ba1 La1 Cr1 Mo1 O6
  • Reduced Formula: BaLaCrMoO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m