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-119916
  • 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: 4
  • Number of elements: 3
  • Element list: ['B', 'H', 'O']
  • Chemical System: B-H-O
  • Density: 3.0390074975912875
  • Atomic Density: 0.16706777599679623
  • Unit Cell Volume: 23.942378930552746
  • Molar Volume: 3.6046094012261727
  • Full Formula: B1 H1 O2
  • Reduced Formula: BHO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1