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-22882
  • 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: 34
  • Number of elements: 3
  • Element list: ['Ba', 'Ru', 'O']
  • Chemical System: Ba-O-Ru
  • Density: 6.590909492582045
  • Atomic Density: 0.06664153512708172
  • Unit Cell Volume: 510.1923287806003
  • Molar Volume: 9.036617701732277
  • Full Formula: Ba8 Ru6 O20
  • Reduced Formula: Ba4Ru3O10
  • Formula Anonymous: A3B4C10
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm