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-114578
  • 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: 2
  • Element list: ['Ba', 'O']
  • Chemical System: Ba-O
  • Density: 4.961072269077491
  • Atomic Density: 0.06448400009333183
  • Unit Cell Volume: 62.030891294127905
  • Molar Volume: 9.33896897103742
  • Full Formula: Ba1 O3
  • Reduced Formula: BaO3
  • Formula Anonymous: AB3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m