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-56900
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'Pd']
  • Chemical System: Ca-Pd-Si
  • Density: 5.775959551682536
  • Atomic Density: 0.056268002834651526
  • Unit Cell Volume: 88.86044906717126
  • Molar Volume: 10.702602645586321
  • Full Formula: Ca1 Si2 Pd2
  • Reduced Formula: Ca(SiPd)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm