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-114451
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ca', 'Pd', 'Au']
  • Chemical System: Au-Ca-Pd
  • Density: 8.495650118513373
  • Atomic Density: 0.0446875795905563
  • Unit Cell Volume: 67.1327475662607
  • Molar Volume: 13.476095181652314
  • Full Formula: Ca1 Pd1 Au1
  • Reduced Formula: CaPdAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm