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-50756
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ba', 'Pd', 'O']
  • Chemical System: Ba-O-Pd
  • Density: 6.6254378035925825
  • Atomic Density: 0.06743580534056673
  • Unit Cell Volume: 207.6048462578106
  • Molar Volume: 8.93018290444782
  • Full Formula: Ba2 Pd4 O8
  • Reduced Formula: Ba(PdO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m