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-54757
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Ba', 'H', 'O']
  • Chemical System: Ba-H-O
  • Density: 3.3823578752911194
  • Atomic Density: 0.09439836385276153
  • Unit Cell Volume: 233.0548867808201
  • Molar Volume: 6.379496968181646
  • Full Formula: Ba2 H8 O12
  • Reduced Formula: Ba(H2O3)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1