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-64019
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ba', 'Ti', 'Be']
  • Chemical System: Ba-Be-Ti
  • Density: 4.140991519072684
  • Atomic Density: 0.024683102410871998
  • Unit Cell Volume: 243.08127479782365
  • Molar Volume: 24.39782754921224
  • Full Formula: Ba4 Ti1 Be1
  • Reduced Formula: Ba4TiBe
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m