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-52544
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Ba', 'Y', 'Br']
  • Chemical System: Ba-Br-Y
  • Density: 4.868543783008239
  • Atomic Density: 0.0317688178120782
  • Unit Cell Volume: 629.548134850526
  • Molar Volume: 18.956137416326648
  • Full Formula: Ba4 Y2 Br14
  • Reduced Formula: Ba2YBr7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m