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-104649
  • 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: 10
  • Number of elements: 3
  • Element list: ['Pr', 'Cd', 'Au']
  • Chemical System: Au-Cd-Pr
  • Density: 10.063551660014609
  • Atomic Density: 0.03844661482254758
  • Unit Cell Volume: 260.1009229591614
  • Molar Volume: 15.663643698659854
  • Full Formula: Pr4 Cd2 Au4
  • Reduced Formula: Pr2CdAu2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm