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-28448
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ba', 'In', 'Pd']
  • Chemical System: Ba-In-Pd
  • Density: 7.145058113393719
  • Atomic Density: 0.036358336241146615
  • Unit Cell Volume: 220.03207041543405
  • Molar Volume: 16.563301246949692
  • Full Formula: Ba2 In4 Pd2
  • Reduced Formula: BaIn2Pd
  • Formula Anonymous: ABC2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm