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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1755376
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Au', 'Nd', 'P', 'Zn']
  • Chemical System: Au-Nd-P-Zn
  • Density: 7.835838644170552
  • Atomic Density: 0.04800139702739216
  • Unit Cell Volume: 229.15999702514517
  • Molar Volume: 12.545761442241869
  • Full Formula: Nd3 Zn2 P4 Au2
  • Reduced Formula: Nd3Zn2(P2Au)2
  • Formula Anonymous: A2B2C3D4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1