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-66836
  • 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: 3
  • Number of elements: 3
  • Element list: ['Be', 'Pd', 'Cl']
  • Chemical System: Be-Cl-Pd
  • Density: 5.584422059578897
  • Atomic Density: 0.06686576230723923
  • Unit Cell Volume: 44.86601059321513
  • Molar Volume: 9.00631437106642
  • Full Formula: Be1 Pd1 Cl1
  • Reduced Formula: BePdCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm