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-35661
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Ru', 'O']
  • Chemical System: Ba-O-Ru
  • Density: 7.221710366836663
  • Atomic Density: 0.07592682484216022
  • Unit Cell Volume: 65.85287887902864
  • Molar Volume: 7.93150612121483
  • Full Formula: Ba1 Ru1 O3
  • Reduced Formula: BaRuO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m