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-22399
  • 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: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Pr', 'Pt', 'O']
  • Chemical System: Ba-O-Pr-Pt
  • Density: 7.355363938261502
  • Atomic Density: 0.06268383970717019
  • Unit Cell Volume: 159.5307506163528
  • Molar Volume: 9.607166357601333
  • Full Formula: Ba2 Pr1 Pt1 O6
  • Reduced Formula: Ba2PrPtO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m