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-62061
  • 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: 27
  • Number of elements: 4
  • Element list: ['Ba', 'Ge', 'B', 'O']
  • Chemical System: B-Ba-Ge-O
  • Density: 4.4582713327825845
  • Atomic Density: 0.08255218642545165
  • Unit Cell Volume: 327.0658376126987
  • Molar Volume: 7.294950044040646
  • Full Formula: Ba3 Ge2 B6 O16
  • Reduced Formula: Ba3Ge2(B3O8)2
  • Formula Anonymous: A2B3C6D16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1